Crystallography Open Database

Information card for entry 4314809

Preview

Coordinates	4314809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H38 Cl2 N4 O3 Os P
Calculated formula	C43 H36 Cl2 N4 O3 Os P
SMILES	c12ccccc1C=[N]1CC[N]3=Cc4ccccc4O[Os]13(C#N)(C#N)O2.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.O
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	10.3519 ± 0.0006 Å
b	12.8204 ± 0.0008 Å
c	15.8082 ± 0.0009 Å
α	110.232 ± 0.001°
β	93.355 ± 0.001°
γ	95.207 ± 0.001°
Cell volume	1951.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0318
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4314809.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314809.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314809.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314809.cif
7952	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314809 via cif-deposit CGI script.	4314809.cif