Crystallography Open Database

Information card for entry 4107553

Preview

Coordinates	4107553.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{(PNP)Cu}2{SbF6}
Formula	C72 H120 Cl Cu2 F6 N2 P4 Sb
Calculated formula	C74 H124 Cl4 Cu1.9744 F6 N2.061 P4 Sb
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	15.8951 ± 0.0008 Å
b	14.5628 ± 0.0008 Å
c	18.0542 ± 0.001 Å
α	90°
β	92.806 ± 0.002°
γ	90°
Cell volume	4174.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.581
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.	4107553.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107553.cif
55239	2012-05-04	cif/ Adding structures of 4107553 via cif-deposit CGI script.	4107553.cif