Crystallography Open Database

Information card for entry 4103272

Preview

Coordinates	4103272.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pentanitromethane nitrosyl copper (II) hexafluorophosphate
Formula	C6 H18 Cu F12 N7 O13 P2
Calculated formula	C6 H18 Cu F12 N7 O13 P2
Title of publication	Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration
Authors of publication	Ashley M. Wright; Guang Wu; Trevor W. Hayton
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14336 - 14337
a	12.3815 ± 0.0009 Å
b	14.8062 ± 0.001 Å
c	28.388 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5204.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
178778 (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 4/10/32.	4103272.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103272.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103272.cif
26253	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103272 via cif-deposit CGI script.	4103272.cif