Crystallography Open Database

Information card for entry 4107550

Preview

Coordinates	4107550.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(PNP)-(PNP)Cu]2+
Formula	C68 H96 B2 Cl2 Cu2 F8 N2 P4
Calculated formula	C68 H96 B2 Cl2 Cu2 F8 N2 P4
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	11.9248 ± 0.0018 Å
b	18.516 ± 0.003 Å
c	19.469 ± 0.003 Å
α	63.644 ± 0.004°
β	76.885 ± 0.003°
γ	71.259 ± 0.003°
Cell volume	3629.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1866
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2405
Weighted residual factors for all reflections included in the refinement	0.298
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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.	4107550.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107550.cif
55236	2012-05-04	cif/ Adding structures of 4107550 via cif-deposit CGI script.	4107550.cif