Crystallography Open Database

Information card for entry 4331690

Preview

Coordinates	4331690.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TM14/0.5CH2Cl2
Formula	C44.5 H38 B Cl Cu F4 N3 P2
Calculated formula	C44.5 H37 B Cl Cu F4 N3 P2
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	15.919 ± 0.004 Å
b	15.664 ± 0.003 Å
c	17.884 ± 0.004 Å
α	90°
β	109.314 ± 0.004°
γ	90°
Cell volume	4208.5 ± 1.6 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	8
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	0.1649
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331690.cif
97806	2014-01-29	cif/ Adding structures of 4331690 via cif-deposit CGI script.	4331690.cif