Crystallography Open Database

Information card for entry 8106812

Preview

Coordinates	8106812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 N4 Ni O12
Calculated formula	C40 H40 N4 Ni O12
Title of publication	Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2 N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
Authors of publication	Li, Shi-Hui; Hu, Xu-Ze; Zhao, Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	157 - 159
a	7.6612 ± 0.0006 Å
b	8.0725 ± 0.0007 Å
c	16.3021 ± 0.001 Å
α	89.394 ± 0.006°
β	77.966 ± 0.006°
γ	69.868 ± 0.008°
Cell volume	923.75 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
281244 (current)	2023-03-02	cif/ Adding structures of 8106812 via cif-deposit CGI script.	8106812.cif