Crystallography Open Database

Information card for entry 4338927

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Coordinates	4338927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36.31 Cu F12 N6 O6.31
Calculated formula	C36 H36.3 Cu F12 N6 O6.3
Title of publication	New spin-transition-like copper(II)-nitroxide species.
Authors of publication	Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7545 - 7552
a	6.983 ± 0.002 Å
b	11.526 ± 0.004 Å
c	14.207 ± 0.005 Å
α	113.055 ± 0.006°
β	98.801 ± 0.006°
γ	90.363 ± 0.006°
Cell volume	1037 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338927.cif
117012	2014-06-14	cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script.	4338927.cif