Crystallography Open Database

Information card for entry 4089454

Preview

Coordinates	4089454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 Cu2 O4 P4
Calculated formula	C20 H20 Cl2 Cu2 O4 P4
SMILES	c1([p](cccc1)[Cu]12([p]3(c(cccc3)O)[Cu]2([p]2ccccc2O)([p]21c(cccc2)O)Cl)Cl)O
Title of publication	The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides
Authors of publication	Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	12
Pages of publication	3562
a	7.2297 ± 0.0002 Å
b	9.3745 ± 0.0003 Å
c	9.5825 ± 0.0003 Å
α	83.14 ± 0.001°
β	80.584 ± 0.001°
γ	76.615 ± 0.001°
Cell volume	621.04 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0319
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
243647 (current)	2019-11-26	cif/ Adding structures of 4089451, 4089452, 4089453, 4089454 via cif-deposit CGI script.	4089454.cif