Crystallography Open Database

Information card for entry 7224849

Preview

Coordinates	7224849.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(μ-I)Pr-dppb]2
Chemical name	4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine
Formula	C68 H54 Cu2 I2 N2 P4
Calculated formula	C68 H54 Cu2 I2 N2 P4
SMILES	[Cu]123([Cu]4([I]1)([I]2)[P](c1c([P]4(c2ccccc2)c2ccccc2)ccc(n2cccc2)c1)(c1ccccc1)c1ccccc1)[P](c1c([P]3(c2ccccc2)c2ccccc2)cc(n2cccc2)cc1)(c1ccccc1)c1ccccc1
Title of publication	A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties
Authors of publication	Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4388
a	13.6302 ± 0.0006 Å
b	13.8186 ± 0.0005 Å
c	18.0831 ± 0.0007 Å
α	110.055 ± 0.003°
β	104.744 ± 0.003°
γ	97.913 ± 0.003°
Cell volume	2997.7 ± 0.2 Å³
Cell temperature	100.1 ± 0.2 K
Ambient diffraction temperature	100.1 ± 0.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.0742
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
185278 (current)	2016-08-07	cif/ Updating files of 7224847, 7224848, 7224849 Original log message: Adding full bibliography for 7224847--7224849.cif.	7224849.cif
181945	2016-04-07	cif/ Adding structures of 7224848, 7224849 via cif-deposit CGI script.	7224849.cif