Crystallography Open Database

Information card for entry 4103271

Preview

Coordinates	4103271.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pentanitromethane copper (II) hexafluorophosphate
Formula	C5 H15 Cu F12 N5 O10 P2
Calculated formula	C5 H15 Cu F11.98 N5 O10 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	8.3135 ± 0.0015 Å
b	11.698 ± 0.002 Å
c	11.779 ± 0.002 Å
α	95.151 ± 0.003°
β	104.839 ± 0.003°
γ	91.269 ± 0.003°
Cell volume	1101.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.713
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
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.	4103271.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103271.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103271.cif
26252	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103271 via cif-deposit CGI script.	4103271.cif