Crystallography Open Database

Information card for entry 4331688

Preview

Coordinates	4331688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28.67 B0.67 Cu0.67 F2.67 N2 P1.33
Calculated formula	C36 H28.6667 B0.666667 Cu0.666667 F2.66667 N2 P1.33333
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	9.961 ± 0.002 Å
b	18.067 ± 0.003 Å
c	13.206 ± 0.003 Å
α	90°
β	102.72 ± 0.003°
γ	90°
Cell volume	2318.3 ± 0.8 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	4331688.cif
97804	2014-01-29	cif/ Adding structures of 4331688 via cif-deposit CGI script.	4331688.cif