Crystallography Open Database

Information card for entry 4325927

Preview

Coordinates	4325927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 Cl2 Cr Mn3 N3 O12 S2
Calculated formula	C43 H44 Cl2 Cr Mn3 N3 O12 S2
Title of publication	Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies
Authors of publication	Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7735 - 7748
a	12.2105 ± 0.0004 Å
b	13.2732 ± 0.0004 Å
c	16.8203 ± 0.0006 Å
α	68.679 ± 0.002°
β	85.157 ± 0.002°
γ	88.312 ± 0.001°
Cell volume	2530.46 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	0.864
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
179362 (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 4/32/59.	4325927.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325927.cif
46963	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325927 via cif-deposit CGI script.	4325927.cif