Crystallography Open Database

Information card for entry 8104766

Preview

Coordinates	8104766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl N3 Ni O4
Calculated formula	C20 H24 Cl N3 Ni O4
Title of publication	Crystal structure of dimethanol-dichlorido-bis( μ 2-2-(((1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato- κ4 O:O,O′,N)dinickel (II), C20H24ClNiN3O4
Authors of publication	Gu, Long; Pang, Haixia; Tang, Qiang; Min, Jie; Ma, Li; Pan, Peiran
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	557 - 559
a	10.3831 ± 0.0007 Å
b	17.0139 ± 0.0012 Å
c	12.2649 ± 0.0009 Å
α	90°
β	102.623 ± 0.001°
γ	90°
Cell volume	2114.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0407
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
273726 (current)	2022-03-16	cif/ Adding structures of 8104766 via cif-deposit CGI script.	8104766.cif