Crystallography Open Database

Information card for entry 4327301

Preview

Coordinates	4327301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H86 Mo8 Na12 O85 P8 S2
Calculated formula	C4 H8 Mo8 Na12 O78 P8 S2
Title of publication	Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion
Authors of publication	Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	5898 - 5910
a	11.6173 ± 0.0005 Å
b	13.3978 ± 0.0006 Å
c	13.6621 ± 0.0006 Å
α	75.507 ± 0.001°
β	72.349 ± 0.001°
γ	85.182 ± 0.001°
Cell volume	1961.79 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327301.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327301.cif
61017	2012-06-20	cif/ Adding structures of 4327301 via cif-deposit CGI script.	4327301.cif