Crystallography Open Database

Information card for entry 8102339

Preview

Coordinates	8102339.cif

Structure parameters

Chemical name	Bis(μ~2~-chloro)-tris(triphenylphosphine)-di-copper(I) dimethylformamide solvate
Formula	C57 H52 Cl2 Cu2 N O P3
Calculated formula	C57 H52 Cl2 Cu2 N O P3
SMILES	[Cu]1([Cl][Cu]([Cl]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(C=O)(C)C
Title of publication	Crystal structure of bis(m2-chloro)-tris(triphenyl- phosphine)dicopper(I) dimethylformamide solvate, Cu2Cl2[P(C6H5)3]3 · C3H7NO
Authors of publication	Le-Qing Fan; Ji-Huai Wu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	349
a	19.67 ± 0.007 Å
b	14.34 ± 0.004 Å
c	20.516 ± 0.007 Å
α	90°
β	114.333 ± 0.005°
γ	90°
Cell volume	5273 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0834
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102339.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102339.cif
13078	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102339 via cif-deposit CGI script.	8102339.cif