Crystallography Open Database

Information card for entry 4331694

Preview

Coordinates	4331694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19.27 B0.36 Cl0.73 Cu0.36 N1.09 P0.73
Calculated formula	C21.7273 H15.6364 B0.363636 Cl0.545455 Cu0.363636 N1.09091 P0.727273
Title of publication	Phosphorescent Cu(I) Complexes of 2-(2‘-pyridylbenzimidazolyl)benzene: Impact of Phosphine Ancillary Ligands on Electronic and Photophysical Properties of the Cu(I) Complexes
Authors of publication	McCormick, Theresa; Jia, Wen-Li; Wang, Suning
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	147 - 155
a	13.261 ± 0.003 Å
b	22.435 ± 0.005 Å
c	17.237 ± 0.004 Å
α	90°
β	91.299 ± 0.004°
γ	90°
Cell volume	5127 ± 2 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331694.cif
97810	2014-01-29	cif/ Adding structures of 4331694 via cif-deposit CGI script.	4331694.cif