Crystallography Open Database

Information card for entry 4315629

Preview

Coordinates	4315629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 Cl2 Cr I Mn N3 O15 P4
Calculated formula	C33 H40 Cl2 Cr I Mn N3 O15 P4
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	23.614 ± 0.005 Å
b	16.524 ± 0.004 Å
c	25.317 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9879 ± 4 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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
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.	4315629.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315629.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315629.cif
8785	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315629 via cif-deposit CGI script.	4315629.cif