Crystallography Open Database

Information card for entry 4327298

Preview

Coordinates	4327298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H108 Mo8 N12 O72 P8 S2
Calculated formula	C4 H8 Mo8 O78.5 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	14.439 ± 0.001 Å
b	16.3333 ± 0.0009 Å
c	16.6096 ± 0.0011 Å
α	82.917 ± 0.003°
β	88.179 ± 0.003°
γ	79.074 ± 0.003°
Cell volume	3816.6 ± 0.4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 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	0.0749
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
179375 (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 4/32/72.	4327298.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327298.cif
61014	2012-06-20	cif/ Adding structures of 4327298 via cif-deposit CGI script.	4327298.cif