Crystallography Open Database

Information card for entry 2239749

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Structure parameters

Chemical name	Trilead(II) bis[dihydroxidotetraoxidoiodate(VII)]
Formula	H4 I2 O12 Pb3
Calculated formula	I2 O12 Pb3
SMILES	[I](=O)(O)(O)([O-])([O-])[O-].[Pb+2].O=[I](O)(O)([O-])([O-])[O-].[Pb+2].[Pb+2]
Title of publication	Crystal structure of Pb~3~(IO~4~(OH)~2~)~2~
Authors of publication	Weil, Matthias
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	7
Pages of publication	14 - 17
a	8.9653 ± 0.0009 Å
b	9.2113 ± 0.0009 Å
c	12.8052 ± 0.0013 Å
α	90°
β	101.042 ± 0.002°
γ	90°
Cell volume	1037.9 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181897 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97.	2239749.cif 2239749.hkl
181316	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97.	2239749.cif 2239749.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239749.cif 2239749.hkl
118971	2014-07-04	cif/ hkl/ Adding structures of 2239749 via cif-deposit CGI script.	2239749.cif 2239749.hkl