Crystallography Open Database

Information card for entry 4313287

Preview

Coordinates	4313287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Mn2.44 Mo6 O9
Calculated formula	Mn2.44 Mo6 O9
Title of publication	Mn~2.4Mo6O9: First Example of Empty Twin Chains of Edge-Sharing M6 Octahedra in Transition Metal Cluster Chemistry
Authors of publication	Nicolas Barrier; Patrick Gougeon; Richard Retoux; Henri Leligny
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1734 - 1738
a	16.4824 ± 0.0002 Å
b	2.8273 ± 0.0002 Å
c	17.3283 ± 0.0002 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	807.51 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179188 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32.	4313287.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313287.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313287.cif
6356	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313287 via cif-deposit CGI script.	4313287.cif