Crystallography Open Database

Information card for entry 4107552

Preview

Coordinates	4107552.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[{(PNP2)Cu}2][SbF6]2, 2 CH2Cl2
Formula	C74 H124 Cl4 Cu2 F12 N2 P4 Sb2
Calculated formula	C74 H124 Cl4 Cu2 F12 N2 P4 Sb2
Title of publication	Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2)
Authors of publication	Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3478 - 3485
a	19.101 ± 0.003 Å
b	21.849 ± 0.003 Å
c	20.734 ± 0.005 Å
α	90°
β	90.717 ± 0.014°
γ	90°
Cell volume	8652 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107552.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107552.cif
55238	2012-05-04	cif/ Adding structures of 4107552 via cif-deposit CGI script.	4107552.cif