Crystallography Open Database

Information card for entry 2240674

Preview

Structure parameters

Chemical name	Bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)
Formula	C43 H75 F3 N4 Ni O6
Calculated formula	C43 H75 F3 N4 Ni O6
Title of publication	Crystal structure of an unknown solvate of bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)
Authors of publication	Eya'ane Meva, François; Schaarschmidt, Dieter; Rüffer, Tobias
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	578 - 581
a	19.5285 ± 0.0003 Å
b	17.337 ± 0.0003 Å
c	14.1484 ± 0.0003 Å
α	90°
β	92.136 ± 0.002°
γ	90°
Cell volume	4786.83 ± 0.15 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181906 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06	2240674.cif 2240674.hkl
136456	2015-05-13	cif/ hkl/ Adding structures of 2240674 via cif-deposit CGI script.	2240674.cif 2240674.hkl