ಟೆಂಪ್ಲೇಟು:Chembox CrystalStruct

| {{{value}}}

Template documentation[view] [edit] [history] [purge]

Usage ಬದಲಾಯಿಸಿ

This box can be used as a module in the {{Chembox}}. Section number |Sectionn= can be between 1 and 9.

Complete list

This parameter list:

| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct = 
| SpaceGroup = 
| PointGroup = 
| LattConst_a = 
| LattConst_b = 
| LattConst_c = 
| LattConst_alpha = 
| LattConst_beta = 
| LattConst_gamma = 
| LattConst_ref =
| LattConst_Comment = 
| UnitCellVolume = 
| UnitCellFormulas = 
| Coordination = 
| MolShape = 
| OrbitalHybridisation = 
| Dipole = 
  }}

{{Chembox Structure}}
Reference in header
Crystal structure
Space group (free text)
Point group
Lattice constant (a, b, c)


α, β, γ angles (don't add the ° sign)


Reference for the lattice values
Comment for lattice (any text)
Lattice volume
Number of formulas
Coordination geometry
Molecular geometry
Orbital hybridisation
Dipole moment

Example ಬದಲಾಯಿಸಿ

Example values are taken from various chemicals to provide a complete overview.

Value "-" here stands for 'no example value' found. Usually those values are left empty, and no row is shown (or a default value).

ಟೆಂಪ್ಲೇಟು:Chembox LattConst Angle|

Coordination geometry

Example values
ರಚನೆ
Crystal structure	Face-centered cubic, cF1924
Space group	Fm3m, No. 225
Point group	-
Lattice constant
octahedral at Fe
Molecular shape	Linear
Hybridisation	-
ದ್ವಿಧ್ರುವ ಚಲನೆ	2.98 D
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). >
Infobox references

Tracking categories (test):

{{Chembox
| Name = Example values
| Section8 = {{Chembox Structure
| CrystalStruct = Face-centered cubic, [[Pearson symbol|cF1924]]
| SpaceGroup = Fm{{overline|3}}m, No. 225
| PointGroup = -
| LattConst_a = 1.4154 nm
| LattConst_b = -
| LattConst_c = -
| LattConst_alpha = 40.4
| LattConst_beta =
| LattConst_gamma =
| LattConst_ref =<ref>Some source</ref>
| LattConst_Comment = Some comment, any text
| UnitCellFormulas = 6 formula per cell
| UnitCellVolume = (Unit Cell Volume)
| Coordination = [[octahedral]] at Fe
| MolShape = Linear
| OrbitalHybridisation = -
| Dipole = 2.98 D
  }}
}}

See also ಬದಲಾಯಿಸಿ

Chembox templates

Chembox

This parameter list:

{{Chembox
| Reference =
<!-- Names -->
| Name =
| pronounce =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections --> 
| Section1 = 
| Section2 = 
| Section3 = 
| Section4 = 
| Section5 = 
| Section6 = 
| Section7 = 
| Section8 = 
| Section9 = 
<!-- Style settings  -->
| style =
| width =
<!-- Bot parameter. Do not add, change or remove -->
| Verifiedfields = 
| Watchedfields = 
| verifiedrevid =

<!-- IMAGE row 1/9 -->
| ImageFile = 
| ImageName = 
| ImageSize = 
| ImageAlt = 
| ImageCaption = 
<!-- IMAGE row 2/9 -->
| ImageFile1 = 
| ImageName1 = 
| ImageSize1 = 
| ImageAlt1 = 
| ImageCaption1 = 
<!-- IMAGE (L, R) row 3/9 -->
| ImageNameL1 = 
| ImageFileL1 = 
| ImageSizeL1 = 
| ImageAltL1 = 
| ImageCaptionL1 = 
| ImageNameR1 = 
| ImageFileR1 = 
| ImageSizeR1 = 
| ImageAltR1 = 
| ImageCaptionR1 = 
<!-- IMAGE (L, R) row 4/9 -->
| ImageNameL2 = 
| ImageFileL2 = 
| ImageSizeL2 = 
| ImageAltL2 = 
| ImageCaptionL2 = 
| ImageNameR2 = 
| ImageFileR2 = 
| ImageSizeR2 = 
| ImageAltR2 = 
| ImageCaptionR2 = 
<!-- IMAGE row 5/9 -->
| ImageName2 = 
| ImageFile2 = 
| ImageSize2 = 
| ImageAlt2 = 
| ImageCaption2 = 
<!-- IMAGE row 6/9 -->
| ImageName3 = 
| ImageFile3 = 
| ImageSize3 = 
| ImageAlt3 = 
| ImageCaption3 = 
<!-- IMAGE rows 7-8-9/9 See below. ( _L3/R3, _L3/R4, _4: rarely needed or used) -->
| ImageCaptionAll =
| show_footer =
}}

{{Chembox}} - main parameters

Rarely used parameters

{{Chembox
<!-- footer settings -->
| style-left-column-width=
| show_ss_note =
| show_infobox_ref =
| general_note =
<!-- IMAGE (L, R) row 7/9 -->
| ImageNameL3 = 
| ImageFileL3 = 
| ImageSizeL3 = 
| ImageAltL3 = 
| ImageCaptionL3 = 
| ImageNameR3 = 
| ImageFileR3 = 
| ImageSizeR3 = 
| ImageAltR3 = 
| ImageCaptionR3 = 
<!-- IMAGE (L, R) row 8/9 -->
| ImageNameL4 = 
| ImageFileL4 = 
| ImageSizeL4 = 
| ImageAltL4 = 
| ImageCaptionL4 = 
| ImageNameR4 = 
| ImageFileR4 = 
| ImageSizeR4 = 
| ImageAltR4 = 
| ImageCaptionR4 = 
<!-- IMAGE row 9/9 -->
| ImageName4 = 
| ImageFile4 = 
| ImageSize4 = 
| ImageAlt4 = 
| ImageCaption4 = 
}}

{{Chembox}} - rarely used parameters

Identifiers

This parameter list:

|Section1={{Chembox Identifiers
| Identifiers_ref =
<!-- indexlabeling-->
| index_label = 
| index1_label = 
| indexlist_caption = 
| index_comment = 
| index1_comment = 
<!--CASNo, +ix 1–5-->
| CASNo = 
| CASNo_Comment = 
| CASNo1 = 
| CASNo1_Comment = 
| CASNoOther = 
<!--ChEBI, +ix 1–5-->
| ChEBI = 
| ChEBI_Comment = 
| ChEBI1 = 
| ChEBI1_Comment =
| ChEBIOther = 
<!--ChEMBL, +ix 1–5-->
| ChEMBL = 
| ChEMBL_Comment = 
| ChEMBL1 = 
| ChEMBL1_Comment =
| ChEMBLOther = 
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID = 
| ChemSpiderID_Comment = 
| ChemSpiderID1 = 
| ChemSpiderID1_Comment = 
| ChemSpiderIDOther = 
<!--DrugBank, +ix 1–5-->
| DrugBank = 
| DrugBank_Comment = 
| DrugBank1 = 
| DrugBank1_Comment = 
| DrugBankOther = 
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand = 
| IUPHAR_ligand_Comment = 
| IUPHAR_ligand1 = 
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other = 
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment = 
| KEGG1 = 
| KEGG1_Comment =
| KEGGOther = 
<!--PubChem, +ix 1–5-->
| PubChem = 
| PubChem_Comment = 
| PubChem1 = 
| PubChem1_Comment = 
| PubChemOther = 
<!--SMILES, Jmol 1–5-->
| SMILES = 
| SMILES_Comment = 
| SMILES1 = 
| SMILES1_Comment =
| SMILESOther =
| Jmol =
| Jmol1 = 
<!--StdInChI-->
| StdInChI = 
| StdInChI_Comment = 
| StdInChIKey = 
<!--InChI, Key: index 1–5-->
| InChI = 
| InChI_Comment = 
| InChIKey = 
| InChI1 = 
| InChI1_Comment = 
| InChIKey1 =
| InChIOther = 
<!--UNII, +ix 1–5-->
| UNII = 
| UNII_Comment = 
| UNII1 = 
| UNII1_Comment = 
| UNIIOther = 
<!--non-indexed params-->
| 3DMet = 
| Abbreviations = 
| Beilstein = 
| EC_number = 
| EC_number_Comment = 
| Gmelin = 
| MeSHName =
| RTECS = 
| UNNumber =
}}

{{Chembox Identifiers}}
------
CAS registry number, links to http://www.commonchemistry.org/
 CAS registry number comment
Other CAS RN (unformatted)


------
ChEBI, links to http://www.ebi.ac.uk/chebi/




------
CHeMBL




------
ChemSpider ID, links to http://www.chemspider.com/
 ChemSpider ID comment
ChemSpider ID verified? If yes, type: {{Chemspidercite}}
Other ChemSpider ID

------
DrugBank
 comment
Other DrugBank

------
IUPHAR/BPS
 comment
Other IUPHAR


------
KEGG entry, links to http://www.genome.jp/kegg/



------
PubChem compound ID, links to http://pubchem.ncbi.nlm.nih.gov/
PubChem compound ID comment

Other PubChem compound ID

------
SMILES
 SMILES comment
Other SMILES


------
StdInChI
 StdInChI comment
StdInChI Key
 StdInChI Key comment
------
InChI
 InChI comment
Other InChI
InChI Key
 InChI Key comment
Other InChI Key
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment
Other UNII


------
3DMET entry, links to http://www.3dmet.dna.affrc.go.jp/
Abbreviations
Beilstein reference
EC_number (aka EINECS)
E number (food additive code)
Gmelin ID
UN number
MeSH heading, links to http://www.nlm.nih.gov/mesh/
RTECS number

Properties

This parameter list:

| Section2={{Chembox Properties
| Properties_ref = 
| Formula = 
| Formula_ref = 
| Formula_comment = 
| C= | H= | N= <!--(etc)-->
| Formula_Charge =
| MolarMass =
| MolarMassRound =
| MolarMass_ref = 
| MolarMass_notes = 
| Appearance = 
| Odor = | Odour = 
| Density = 
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
| SublimationConditions = 
| Solubility = 
| SolubilityProduct = 
| SolubilityProductAs = 
| SolubleOther = 
| Solvent = 
| Solubility1 = 
| Solvent1 = 
| Solubility2 = 
| Solvent2 = 
| Solubility3 = 
| Solvent3 = 
| Solubility4 = 
| Solvent4 = 
| Solubility5 = 
| Solvent5 =
| CMC =
| HLB =
| LogP = 
| VaporPressure = 
| HenryConstant = 
| AtmosphericOHRateConstant = 
| pKa = 
| pKb = 
| IsoelectricPt = 
| LambdaMax = 
| Absorbance = 
| BandGap = 
| ElectronMobility = 
| SpecRotation = 
| MagSus = 
| ThermalConductivity = 
| RefractIndex = 
| Viscosity = 
| CriticalRelativeHumidity = 
| Dipole = 
| OrbitalHybridisation = 
| SpecificSurfaceArea = 
| PoreVolume = 
| AveragePoreSize = 
  }}

{{Chembox Properties}} - incomplete list
Reference
Chemical formula
 reference
 comment
 per element (alternative input)
 molecule charge
MolarMass
MolarMassRound
MolarMass_ref
MolarMass_notes
Appearance
Odor, Odour
Density
MeltingPt, any text
Number, in Celsius. Is converted to F and K
 Also possible: MeltingPtF=, or MeltingPtK=
 
 
 
BoilingPt, any text
Number, in Celsius. Is converted to F and K
 Also possible: BoilingPtF=, or BoilingPtK=
 
 
 
SublimationConditions
Solubility in water (Aqueous solution)
SolubilityProduct
SolubilityProductAs
SolubleOther
Solvent
Solubility1
[[{{{Solvent1}}}]]
Solubility2
[[{{{Solvent2}}}]]
Solubility3
[[{{{Solvent3}}}]]
Solubility4
[[{{{Solvent4}}}]]
Solubility5
[[{{{Solvent5}}}]]
 CMC
 HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
IsoelectricPt
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize

Structure

Complete list

This parameter list:

| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct = 
| SpaceGroup = 
| PointGroup = 
| LattConst_a = 
| LattConst_b = 
| LattConst_c = 
| LattConst_alpha = 
| LattConst_beta = 
| LattConst_gamma = 
| LattConst_ref =
| LattConst_Comment = 
| UnitCellVolume = 
| UnitCellFormulas = 
| Coordination = 
| MolShape = 
| OrbitalHybridisation = 
| Dipole = 
  }}

{{Chembox Structure}}
Reference in header
Crystal structure
Space group (free text)
Point group
Lattice constant (a, b, c)


α, β, γ angles (don't add the ° sign)


Reference for the lattice values
Comment for lattice (any text)
Lattice volume
Number of formulas
Coordination geometry
Molecular geometry
Orbital hybridisation
Dipole moment

Thermochemistry

Complete list

This parameter list:

| Section4 = {{Chembox Thermochemistry
| Thermochemistry_ref =
| HeatCapacity = 
| Entropy = 
| DeltaHf = 
| DeltaGf = 
| DeltaHc =
  }}

{{Chembox Thermochemistry}}
Header reference
Specific heat capacity
Standard molar entropy
Standard enthalpy change of formation
Gibbs free energy
Standard enthalpy change of combustion

Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>

Explosive

This parameter list:

| Section5 = {{Chembox Explosive
| Explosive_ref =
| ShockSens = 
| FrictionSens = 
| DetonationV = 
| REFactor = 
  }}

{{Chembox Explosive}}
Header reference
Shock sensitivity
Friction sensitivity
Detonation velocity
Relative effectiveness factor

Complete list

Pharmacology

This parameter list:

| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix = 
| ATCCode_suffix = 
| ATC_Supplemental = 
| ATCvet =
| Licence_EU = 
| INN =
| EMA_INN = 
| Licence_US = 
| Legal_status = 
| Legal_AU = 
| Legal_AU_comment = 
| Legal_CA = 
| Legal_CA_comment = 
| Legal_NZ = 
| Legal_NZ_comment = 
| Legal_UK = 
| Legal_UK_comment = 
| Legal_US = 
| Legal_US_comment = 
| Legal_EU = 
| Legal_EU_comment = 
| Legal_UN = 
| Legal_UN_comment = 
| Pregnancy_category = 
| Pregnancy_AU = 
| Pregnancy_AU_comment = 
| Pregnancy_US =
| Pregnancy_US_comment = 
| Dependence_liability = 
| Addiction_liability = 
| AdminRoutes = 
| Bioavail = 
| ProteinBound = 
| Metabolism = 
| Metabolites = 
| OnsetOfAction = 
| HalfLife = 
| DurationOfAction = 
| Excretion = 
  }}

{{Chembox Pharmacology}}
Ordered as shown by template
 
Pharmacokinetics

Complete list

Hazards

This parameter list:

| Section7 = {{Chembox Hazards
| Hazards_ref =
<!-- (data page) -->
| ExternalSDS = 
| GHSPictograms = 
| GHSSignalWord = 
| HPhrases = 
| PPhrases = 
| MainHazards = 
| IngestionHazard = 
| InhalationHazard = 
| EyeHazard = 
| SkinHazard = 
| NFPA-F = 
| NFPA-H = 
| NFPA-R = 
| NFPA-S = 
| NFPA_ref = 
| FlashPt =
| FlashPtC =
| FlashPt_notes =
| FlashPt_ref =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPt_ref=
| AutoignitionPt_notes=
| ExploLimits = 
| TLV = 
| TLV-TWA = 
| TLV-STEL = 
| TLV-C = 
| LD50 = 
| LDLo = 
| LC50 = 
| LCLo = 
| PEL =
| REL = 
| IDLH =
| NIOSH_id =
| NIOSH_ref =
 }}

{{Chembox Hazards}} - complete list
link to (data page)#Safety data sheet
link to an external Material safety data sheet (MSDS)
Danger pictograms according to GHS 
GHS Signal Word - See ವರ್ಗ:GHS templates
GHS Hazard statements
GHS Precautionnary statements
Risk phrases (EU system)
Safety phrases (EU system)








Flammability by NFPA 704, red. See {{NFPA 704 diamond}} documentation
Health, blue. Health hazard code (0–4 or -)
Reactivity, yellow. Reactivity hazard code (0–4 or -)
Special hazards, white. Other hazard codes (like W, OX, RA, -. See list)
Reference for the NFPA fire diamond
Flash point, any text
 Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
 
 
Autoignition point, any text
 Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
 
 

PEL
Threshold Limit Value
Threshold Limit Value: Time Weighted Average
Threshold Limit Value: Short Time Exposure Limit

Lethal dose for half a population either by oral, dermal or intravenous

This parameter list:

All Related input creates a 'see also' list. It is good practice to use article links.

| Section8 = {{Chembox Related
| Related_ref =
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
  }}

{{Chembox Related}} - complete list
 
Ions
Ions

Label text: "Related {{{OtherFunction_label}}}"
Other compounds

Data sheet links, Footer (no parameters)

This parameter list:
- view
- edit

| Section = {{Chembox Supplement
| data page pagename =
}}

{{Chembox Supplement}} - complete list
Set data page name, default is: Chembox CrystalStruct (data page)

This parameter list:
- view
- edit

{{Chembox
| style-left-column-width =
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}

{{Chembox Footer}} - (Chembox internal only; parameters entered in main {{Chembox}})
Set lefthand text column width (default is 40%; see also 'width=' option in {{Chembox}})
Set '=no' will hide the standard state notice
Allows a general note in the bottom box
Set '=no' will hide the infobox reference notice
 
Bot maintained
Do not edit, add or remove these fields

more on images

This parameter list:

Chembox images ordering
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFileL2	ImageFileR2
row 5	ImageFile2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3
row 8	ImageFileL4	ImageFileR4
row 9	ImageFile4

{{Chembox
| Name =

<!-- Row 1/9 -->{{Chembox image
|ImageFile = 
|ImageName = 
|ImageSize = 
|ImageAlt = 
|ImageCaption =  
 }}
<!-- Row 2/9 -->{{Chembox image
|ImageFile1 = 
|ImageName1 = 
|ImageSize1 = 
|ImageAlt1 = 
|ImageCaption1 = 
 }}
<!-- Row 3/9 -->{{Chembox image sbs
|ImageFileL1 = 
|ImageNameL1 = 
|ImageSizeL1 = 
|ImageAltL1 = 
|ImageCaptionL1 = 

|ImageFileR1 = 
|ImageNameR1 = 
|ImageSizeR1 = 
|ImageAltR1 = 
|ImageCaptionR1 = 
}}

| ...(more Chembox parameters)
}}

indexed identifiers

This parameter list:

CASNo
{{{CASNo1|}}}{{{CASNo2|}}}{{{CASNo3|}}}{{{CASNo4|}}}{{{CASNo5|}}}
ChEBI
{{{ChEBI1|}}}{{{ChEBI2|}}}{{{ChEBI3|}}}{{{ChEBI4|}}}{{{ChEBI5|}}}
ChEMBL
{{{ChEMBL1|}}}{{{ChEMBL2|}}}{{{ChEMBL3|}}}{{{ChEMBL4|}}}{{{ChEMBL5|}}}
ChemSpiderID
{{{ChemSpiderID1|}}}{{{ChemSpiderID2|}}}{{{ChemSpiderID3|}}} 
{{{ChemSpiderID4|}}} {{{ChemSpiderID5|}}}
DrugBank
{{{DrugBank1|}}}{{{DrugBank2|}}}{{{DrugBank3|}}}{{{DrugBank4|}}}{{{DrugBank5|}}}
IUPHAR_ligand
{{{IUPHAR_ligand1|}}}{{{IUPHAR_ligand2|}}}{{{IUPHAR_ligand3|}}}{{{IUPHAR_ligand4|}}}{{{IUPHAR_ligand5|}}}
Jmol
{{{Jmol1|}}}{{{Jmol2|}}}{{{Jmol3|}}}{{{Jmol4|}}}{{{Jmol5|}}}
KEGG
{{{KEGG1|}}}{{{KEGG2|}}}{{{KEGG3|}}}{{{KEGG4|}}}{{{KEGG5|}}}
PubChem
{{{PubChem1|}}}{{{PubChem2|}}}{{{PubChem3|}}}{{{PubChem4|}}}{{{PubChem5|}}}
UNII
{{{UNII1|}}}{{{UNII2|}}}{{{UNII3|}}}{{{UNII4|}}}{{{UNII5|}}}
InChI, InChIKey
{{{InChI1|}}}{{{InIKey1|}}}{{{InChI2|}}}{{{InChIKey2|}}}{{{InChI3|}}}{{{InChIKey3|}}}{{{InChI4|}}}{{{InChIKey4|}}}{{{InChI5|}}}{{{InChIKey5|}}}
SMILES
{{{SMILES1|}}}{{{SMILES2|}}}{{{SMILES3|}}}{{{SMILES4|}}}{{{SMILES5|}}}
}}

CASNo

ChEBI

ChEMBL

ChemSpiderID

DrugBank

IUPHAR_ligand

Jmol

KEGG

PubChem

UNII

InChI, InChIKey

SMILES

more on temperatures

This parameter list:

Four or less parameters are needed to present temperature data:

`\|MeltingPt=Decomposes when >` `\|MeltingPtC=50` `\|MeltingPt_ref=<ref>[www.example.com]</ref>` `\|MeltingPt_notes=My notes<ref>[www.chemspider.com]</ref>`	`Decomposes when >_50 °C (122 °F; 323 K)^[1]_My notes^[2]`
The options for conversion: `\|MeltingPtC=50` `\|MeltingPtF=50` `\|MeltingPtK=50` Temperature range: `\|MeltingPtC=50 to 70` `\|MeltingPtF=50 to 70` `\|MeltingPtK=50 to 70`	50 °C (122 °F; 323 K) 10 °C; 50 °F; 283 K −223.2 °C; −369.7 °F; 50.0 K 50 to 70 °C (122 to 158 °F; 323 to 343 K) 10 to 21 °C; 50 to 70 °F; 283 to 294 K −223.2 to −203.2 °C; −369.7 to −333.7 °F; 50.0 to 70.0 K

| Section = {{Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =

| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
  }}

  {{Chembox Properties}} - all temperature parameters
Any text for melting point value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

Any text for boiling point value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

| Section = {{Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =

| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
  }}

  {{Chembox Hazards}} - all temperature parameters
Any text for Flash point value.
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

Any text for autoignition temperature value
Temperature, number only. Can be a range: '100 to 200'
 number, when in degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

deprecations

This parameter list:

Incomplete list

ATC and Drugbank: Parameters |ATC= and |Drugbank= can appear in only one section each:

in |Section1 = {{Chembox Identifiers |Drugbank = ...}}

in |Section2 = {{Chembox Pharamacology |ATCCode.. = ...}}

Preferred alternative parameters

Names: PIN_hidden, IUPACName_hidden (not used)

Identifiers EC-number → EC_number
Identifiers: CASNos → CASNoOther

All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs

PubChem_Ref not used
EINECSCASNO removed

Explosive: ExplosiveV → DetonationV

Pharma: ATCCode → split over ATCCode_prefix ATCCode_suffix (3 + 4 characters)
Pharma: PregCat → Pregnancy_category
Pharma: PregCat_AU, PregCat_US → Pregnancy_category_AU, Pregnancy_category_US
Pharma: legal_XX → Legal_XX uppercase L

Hazards: ExternalMSDS → ExternalSDS
Hazards: NSFA_Ref → NSFA_ref
Hazards: EUIndex removed from template
Hazards: NFPA-O → NFPA-S (NFPA-704 Special, not Other)

Properties: MassRound → MolarMassRound (into regular name pattern)
Properties: ExactMass not available in templatediscussed 2012

Related function: OtherFunctn use OtherFunction
Related function: Function use OtherFunction_label
Related function: OtherCpds use OtherCompounds

Parameters deprecated earlier: Section, Section10, ImageStyleN

CheMoBot

verification and the {{Cascite}} template set

This page:

By {{Chembox}} and {{Infobox drug}} settings, a CheMoBot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article.

A template like {{cascite}} is added and set by CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized for maintenance.

For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See

By {{Chembox}} and {{Drugbox}} settings, a bot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article. Depending on the template settings, articles are categorized for maintenance.

Usage

A template is added and set by User:CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized.

For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See WP:WikiProject Chemicals/Chembox validation.

Bot-set templates in `{{Chembox}}` and `{{Drugbox}}`
template	Verified fields (parameter)	Category 'changed'	default source	{{Chembox}} conforms	{{Drugbox}} conforms

`{{Cascite}}`	`\|CASNo=` `\|CAS_number=`	changed CAS number	CAS	Y	Y
`{{Ebicite}}`	`\|ChEBI=`, `\|ChEMBL=`	changed EBI identifier	EBI	Y	Y
`{{Chemspidercite}}`	`\|ChemSpiderID=`	changed ChemSpider identifier	ChemSpider	Y	Y
`{{Drugbankcite}}`	`\|DrugBank=`	changed DrugBank identifier	DrugBank	Y	Y
`{{Keggcite}}`	`\|KEGG=`	changed KEGG identifier	KEGG	Y	Y
`{{Stdinchicite}}`	`\|StdInChI=`, `\|StdInChIKey=`, `\|InChIKey=`, `\|InChI=`	changed InChI identifier	ChemSpider	Y	Y
`{{Fdacite}}`	`\|UNII=`	changed FDA identifier	FDA	Y	Y
`{{Chemboximage}}`	`\|ImageFile[L/R]=`	changed Chembox image file	(none)	N	N/A
{{drugboximage}}	not existing, not used		(none)	N/A	N

Added by the bot (_Ref=cite templates)

The bot-template is added as input for a purpose-added parameter:

|CASNo=1234-56-7 (editors input)

|CASNo_Ref={{cascite|...|...}} (bot parameter added + template set)

Initially the parameters are set {{cascite|changed|??}}

The primary parameter can have an index (see its documentation):

|CASNo3=1234-56-7

|CASNo3_Ref={{cascite|...|...}}

Indexed parameters like |CASNo1= and |CASNo2= are verified too, and are treated independently. So an article can have: |CASNo={{cascite|correct|CAS}} and |CASNo3={{cascite|changed}}.

Data 'correct' or 'changed' (parameter #1)

The first parameter is either correct ^Y or changed ^N always: {{cascite|correct|CAS}}. Cross-marked articles are categorized as 'changed'. With any other text like monkey ^N, again the cross is shown and the article is categorized, now sorted under "?".

Correct by source (parameter #2)

Initially, the bot sets this to |?? (='source unknown'). Parameter #2 has the source that confirms the statement. By confirmation, the parameter can mention the confirming source. When that source is not the standard (as listed above), the input source is mentioned in a superscript linked:

|CASNo_Ref={{cascite|correct|CDC85}} → 1234-56-7^Y[CDC85]

This source name is case-insensitive: CAS=cas.