Crystallography Open Database

Information card for entry 4315632

Preview

Coordinates	4315632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H36 Br3 Cr O P4
Calculated formula	C12 H32 Br3 Cr P4
SMILES	C1[P](C)([Cr]2(Br)([P](C1)(C)C)([P](CC[P]2(C)C)(C)C)Br)C.[Br-]
Title of publication	Enhancing the Magnetic Anisotropy of Cyano-Ligated Chromium(II) and Chromium(III) Complexes via Heavy Halide Ligand Effects
Authors of publication	Hemamala I. Karunadasa; Kristine D. Arquero; Louise A. Berben; Jeffrey R. Long
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4738 - 4740
a	9.148 ± 0.007 Å
b	13.323 ± 0.011 Å
c	21.42 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	2611 ± 4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
179236 (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 4/31/56.	4315632.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315632.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315632.cif
8788	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315632 via cif-deposit CGI script.	4315632.cif