Crystallography Open Database

Information card for entry 4331765

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Structure parameters

Formula	C56 H48 Mo8 O32 S6
Calculated formula	C56 H48 Mo8 O32 S6
Title of publication	New Metal−Organic Polygons Involving MM Quadruple Bonds: M8(O2CtBu)4(μ-SC4H2-3,4-{CO2}2)6(M = Mo, W)
Authors of publication	Byrnes, Matthew J.; Chisholm, Malcolm H.; Patmore, Nathan J.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	25
Pages of publication	9347 - 9352
a	15.315 ± 0.002 Å
b	15.315 ± 0.002 Å
c	39.624 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	9294 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4331765.cif
179420	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331765.cif
97869	2014-01-29	cif/ Adding structures of 4331765 via cif-deposit CGI script.	4331765.cif