Crystallography Open Database

Information card for entry 4316432

Preview

Coordinates	4316432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Cr2 Mn N O14 Se2
Calculated formula	C25 H26 Cr2 Mn N O14 Se2
Title of publication	Chromium-Manganese Selenide Carbonyl Complexes: Paramagnetic Clusters and Relevance to C=O Activation of Acetone
Authors of publication	Minghuey Shieh; Chien-Nan Lin; Chia-Yeh Miu; Miao-Hsing Hsu; Yi-Wen Pan; Li-Fang Ho
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8056 - 8066
a	9.7566 ± 0.0018 Å
b	11.2691 ± 0.0008 Å
c	16.9 ± 0.006 Å
α	81.77 ± 0.016°
β	76.05 ± 0.03°
γ	71.59 ± 0.009°
Cell volume	1706.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0723
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
179244 (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 4/31/64.	4316432.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316432.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316432.cif
9630	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316432 via cif-deposit CGI script.	4316432.cif