Crystallography Open Database

Information card for entry 4314810

Preview

Coordinates	4314810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53 Cu N11 O5 Os2
Calculated formula	C46 H53 Cu N11 O5 Os2
Title of publication	trans-[OsIII(salen)(CN)2]-: A New Paramagnetic Building Block for the Construction of Molecule-Based Magnetic Materials
Authors of publication	Jun-Fang Guo; Wai-Fun Yeung; Pui-Ha Lau; Xiu-Teng Wang; Song Gao; Wing-Tak Wong; Stephen Sin-Yin Chui; Chi-Ming Che; Wai-Yeung Wong; Tai-Chu Lau
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1607 - 1614
a	16.854 ± 0.002 Å
b	13.4332 ± 0.0017 Å
c	21.843 ± 0.003 Å
α	90°
β	109.487 ± 0.002°
γ	90°
Cell volume	4662 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179228 (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 4/31/48.	4314810.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314810.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314810.cif
7953	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314810 via cif-deposit CGI script.	4314810.cif