Crystallography Open Database

Information card for entry 1550500

Preview

Coordinates	1550500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Cl2 Cu2 O4 P4
Calculated formula	C40 H60 Cl2 Cu2 O4 P4
SMILES	[Cu]1([Cl][Cu]([Cl]1)([p]1c(O)cccc1CCCCC)[p]1c(O)cccc1CCCCC)([p]1c(O)cccc1CCCCC)[p]1c(cccc1O)CCCCC
Title of publication	Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
Authors of publication	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
Journal of publication	Chemical Science
Year of publication	2019
a	9.1382 ± 0.0008 Å
b	11.4943 ± 0.0008 Å
c	12.1632 ± 0.0007 Å
α	79.859 ± 0.005°
β	71.565 ± 0.006°
γ	66.823 ± 0.007°
Cell volume	1112.26 ± 0.15 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0563
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213240 (current)	2019-01-22	cif/ Adding structures of 1550495, 1550496, 1550497, 1550498, 1550499, 1550500, 1550501, 1550502, 1550503, 1550504 via cif-deposit CGI script.	1550500.cif