Crystallography Open Database

Information card for entry 4307364

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Structure parameters

Formula	C54 H124 I Mo6 N5 O26
Calculated formula	C54 H124 I Mo6 N5 O26
Title of publication	Protonation and Methylation of an Anderson-Type Polyoxoanion [IMo6O24]5-
Authors of publication	Daisuke Honda; Shusaku Ikegami; Tomoaki Inoue; Tomoji Ozeki; Atsushi Yagasaki
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1464 - 1470
a	17.6105 ± 0.0004 Å
b	15.5432 ± 0.0005 Å
c	29.3316 ± 0.0009 Å
α	90°
β	91.475 ± 0.003°
γ	90°
Cell volume	8026.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4307364.cif
179111	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307364.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307364.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307364.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307364.cif