Crystallography Open Database

Information card for entry 8102481

Preview

Coordinates	8102481.cif

Structure parameters

Chemical name	[tris(2-benzimidazolylmethyl)amine-N, N^'^, N^''^, N^'''^] (methanol-O)(3,5-dinitrobenzoate-O)Nickel(II) nitrate-methanol, [Ni(C~24~H~21~N~7~)(C~7~H~3~O~6~N~2~)(CH~3~OH)]~2~(NO~3~)~2~?(CH~3~OH)~3~
Formula	C33.5 H34 N10 Ni O11.5
Calculated formula	C33.5 H34 N10 Ni O11.5
Title of publication	Crystal structure of [tris(2-benzimidazolylmethyl)amine-N,N',N'',N''']-(methanol-O)-(3,5-dinitrobenzoato-O)nickel(II) nitrate — methanol (1:3), [Ni(C24H21N7)(C7H3O6N2)(CH3OH)]2(NO3)2 · 3CH3OH
Authors of publication	Feng-Mei Nie; Jing Chen; Fei Lu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	27
a	20.157 ± 0.004 Å
b	16.337 ± 0.003 Å
c	23.218 ± 0.005 Å
α	90°
β	104.72 ± 0.03°
γ	90°
Cell volume	7395 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.2572
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102481.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102481.cif
13220	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102481 via cif-deposit CGI script.	8102481.cif