Crystallography Open Database

Information card for entry 8105234

Preview

Coordinates	8105234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Cl2 N9 Ni O12
Calculated formula	C33 H39 Cl2 N9 Ni O12
Title of publication	Crystal structure of (pyridine-2-carboxamide-κ2 N,O)-[tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′]nickel(II) diperchlorate — methanol (1/3), C33H39Cl2N9NiO12
Authors of publication	Zhang, Jun-Chao; Chen, Jiang-Li; Nie, Feng-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	607 - 609
a	9.7478 ± 0.0004 Å
b	20.6247 ± 0.0007 Å
c	19.0897 ± 0.0011 Å
α	90°
β	92.767 ± 0.005°
γ	90°
Cell volume	3833.4 ± 0.3 Å³
Cell temperature	108.4 ± 0.2 K
Ambient diffraction temperature	108.4 ± 0.2 K
Number of distinct elements	6
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	0.0784
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
275364 (current)	2022-05-12	cif/ Adding structures of 8105234 via cif-deposit CGI script.	8105234.cif