Crystallography Open Database

Information card for entry 4331767

Preview

Coordinates	4331767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 Mn3 Mo2 N28 O12
Calculated formula	C52 H84 Mn3 Mo2 N28 O12
Title of publication	A Two-Dimensional Octacyanomolybdate(V)-Based Ferrimagnet: {[MnII(DMF)4]3[MoV(CN)8]2}n
Authors of publication	Withers, Jeffrey R.; Li, Dongfeng; Triplet, Jeremy; Ruschman, Chad; Parkin, Sean; Wang, Guangbin; Yee, Gordon T.; Holmes, Stephen M.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4307 - 4309
a	11.007 ± 0.0002 Å
b	20.624 ± 0.0003 Å
c	16.776 ± 0.0003 Å
α	90°
β	101.461 ± 0.0007°
γ	90°
Cell volume	3732.36 ± 0.11 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
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	0.0616
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.49
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
179420 (current)	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.	4331767.cif
97871	2014-01-29	cif/ Adding structures of 4331767 via cif-deposit CGI script.	4331767.cif