Crystallography Open Database

Information card for entry 7215843

Preview

Coordinates	7215843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Cu2 I2 N2 P2
Calculated formula	C42 H32 Cu2 I2 N2 P2
SMILES	[Cu]123([Cu]4([I]1)([I]2)[P](c1cccc2ccc[n]4c12)(c1ccccc1)c1ccccc1)[P](c1cccc2ccc[n]3c12)(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	38.973 ± 0.008 Å
b	11.992 ± 0.002 Å
c	17.704 ± 0.004 Å
α	90°
β	105.94 ± 0.03°
γ	90°
Cell volume	7956 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.358
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.	7215843.cif
116173	2014-06-07	cif/ Updating files of 7215843, 7215844, 7215845, 7215846, 7215847 Original log message: Adding full bibliography for 7215843--7215847.cif.	7215843.cif
113344	2014-05-11	cif/ Adding structures of 7215843, 7215844, 7215845, 7215846, 7215847 via cif-deposit CGI script.	7215843.cif