Crystallography Open Database

Information card for entry 2242140

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Structure parameters

Common name	(bztmpen)Ni
Chemical name	(Acetonitrile-κ<i>N</i>){<i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)
Formula	C32 H38 B2 F8 N6 Ni
Calculated formula	C32 H38 B2 F8 N6 Ni
Title of publication	Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is <i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}
Authors of publication	Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	6
Pages of publication	825 - 828
a	11.23 ± 0.003 Å
b	17.204 ± 0.005 Å
c	18.11 ± 0.006 Å
α	90°
β	103.248 ± 0.007°
γ	90°
Cell volume	3405.8 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199117 (current)	2017-07-25	cif/ hkl/ Adding structures of 2242140 via cif-deposit CGI script.	2242140.cif 2242140.hkl