Crystallography Open Database

Information card for entry 8104859

Preview

Coordinates	8104859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 N7 Ni O8
Calculated formula	C32 H41 N7 Ni O8
Title of publication	Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ 4 N,N′,N′′,N′′′}-(succinato-κ 2 O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8
Authors of publication	Qiao, Tian-Xu; Chen, Yu-Xiao; An, Jing-Yi; Nie, Feng-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	459 - 461
a	10.0076 ± 0.0005 Å
b	18.6516 ± 0.001 Å
c	19.0893 ± 0.0018 Å
α	90°
β	108.532 ± 0.006°
γ	90°
Cell volume	3378.4 ± 0.4 Å³
Cell temperature	111.9 ± 0.1 K
Ambient diffraction temperature	111.9 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
273973 (current)	2022-03-25	cif/ Adding structures of 8104859 via cif-deposit CGI script.	8104859.cif