Crystallography Open Database

Information card for entry 8106980

Preview

Coordinates	8106980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 N4 Ni O15
Calculated formula	C26 H38 N4 Ni O15
Title of publication	Crystal structure of catena-poly[tetraaqua(μ2-4,4′(E)-ethene-1,2-diyldipyridine-κ2 N:N′)nickel(II)] bis(6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate) pentahydrate, C26H42N4O15Ni
Authors of publication	Li, Guan Feng; Liu, Qiu Xia; Li, Rong Fang; Feng, Xun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	695 - 697
a	6.9662 ± 0.0008 Å
b	9.0381 ± 0.001 Å
c	13.4863 ± 0.0015 Å
α	71.43 ± 0.001°
β	79.568 ± 0.001°
γ	85.621 ± 0.001°
Cell volume	791.44 ± 0.15 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	0.0425
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
282042 (current)	2023-03-24	cif/ Adding structures of 8106980 via cif-deposit CGI script.	8106980.cif