Crystallography Open Database

Information card for entry 4327300

Preview

Coordinates	4327300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H84 Li12 Mo8 N2 O83 P12
Calculated formula	C6 H22 Li12 Mo8 N2 O74 P12
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	13.422 ± 0.003 Å
b	16.3292 ± 0.0017 Å
c	18.598 ± 0.002 Å
α	90°
β	102.214 ± 0.011°
γ	90°
Cell volume	3983.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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.	4327300.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327300.cif
61016	2012-06-20	cif/ Adding structures of 4327300 via cif-deposit CGI script.	4327300.cif