Crystallography Open Database

Information card for entry 7215844

Preview

Coordinates	7215844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cu3 I3 N2 P2
Calculated formula	C38 H36 Cu3 I3 N2 P2
SMILES	[Cu]123[I]4[Cu]56([Cu]4([I]15)([I]6)[n]1c(CC[P]3(c3ccccc3)c3ccccc3)cccc1)[n]1c(CC[P]2(c2ccccc2)c2ccccc2)cccc1
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	10.1854 ± 0.0012 Å
b	13.224 ± 0.003 Å
c	28.904 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3893.1 ± 1.3 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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.	7215844.cif
116173	2014-06-07	cif/ Updating files of 7215843, 7215844, 7215845, 7215846, 7215847 Original log message: Adding full bibliography for 7215843--7215847.cif.	7215844.cif
113344	2014-05-11	cif/ Adding structures of 7215843, 7215844, 7215845, 7215846, 7215847 via cif-deposit CGI script.	7215844.cif