Crystallography Open Database

Information card for entry 4307373

Preview

Coordinates	4307373.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(acetonitrile)di(μ~2~-iodo)(μ~2~-bis(bis(o- methoxyphenyl)phosphino)phenylamine)dicopper(I) acetonitrile solvate
Formula	C40 H42 Cu2 I2 N4 O8 P2
Calculated formula	C40 H42 Cu2 I2 N4 O8 P2
SMILES	[I]1[Cu]23([I][Cu]12([P](Oc1ccccc1OC)(Oc1ccccc1OC)N([P]3(Oc1ccccc1OC)Oc1ccccc1OC)c1ccccc1)[N]#CC)[N]#CC.N#CC
Title of publication	Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands
Authors of publication	Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	848 - 858
a	21.358 ± 0.002 Å
b	18.497 ± 0.001 Å
c	22.614 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8933.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0433
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179111 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307373.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307373.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307373.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4307373.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307373.cif