Crystallography Open Database

Information card for entry 8103145

Preview

Coordinates	8103145.cif

Structure parameters

Chemical name	bi-4-aminopyridinium hexahydrogen chromo(III)-hexamolybdate(VI) tetrahydrate, (C~5~H~7~N~2~)~2~(H~3~O)[CrMo~6~(OH)~6~O~18~] 2H~2~O
Formula	C10 H27 Cr Mo6 N4 O27
Calculated formula	C10 H27 Cr Mo6 N4 O27
Title of publication	Crystal structure of bis(4-aminopyridinium) oxonium chromo(III)-hexamolybdate(VI) dihydrate, [C5H7N2]2[H3O][CrMo6(OH)6O18] · 2H2O
Authors of publication	Xiang-Jiang Wu; Xiao-Ming Shen; Peng Zhang; Qian Deng; Shu-Zi Lü; Tie-Jun Cai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	387
a	7.951 ± 0.005 Å
b	10.036 ± 0.005 Å
c	10.345 ± 0.005 Å
α	88.976 ± 0.005°
β	78.016 ± 0.005°
γ	86.207 ± 0.005°
Cell volume	805.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103145.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103145.cif
29119	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103145 via cif-deposit CGI script.	8103145.cif