Crystallography Open Database

Information card for entry 7215845

Preview

Coordinates	7215845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Cu I N P2
Calculated formula	C31 H27 Cu I N P2
SMILES	[Cu]12(I)[n]3c(C[P]1(c1ccccc1)c1ccccc1)cccc3C[P]2(c1ccccc1)c1ccccc1
Title of publication	Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand
Authors of publication	Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5338
a	15.983 ± 0.003 Å
b	11.391 ± 0.002 Å
c	16.357 ± 0.003 Å
α	90°
β	108.82 ± 0.03°
γ	90°
Cell volume	2818.8 ± 1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
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	0.0543
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0475
Goodness-of-fit parameter for all reflections included in the refinement	1.377
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215845.cif
116173	2014-06-07	cif/ Updating files of 7215843, 7215844, 7215845, 7215846, 7215847 Original log message: Adding full bibliography for 7215843--7215847.cif.	7215845.cif
113344	2014-05-11	cif/ Adding structures of 7215843, 7215844, 7215845, 7215846, 7215847 via cif-deposit CGI script.	7215845.cif