Crystallography Open Database

Information card for entry 2023301

2023300 << 2023301 >> 2023302

Preview

Coordinates	2023301.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate
Formula	C34 H28 Cl2 N12 Ni O2
Calculated formula	C34 H28 Cl2 N12 Ni O2
Title of publication	Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate
Authors of publication	Znovjyak, Kateryna; Shova, Sergiu; Panov, Dmitriy M.; Kariaka, Nataliia S.; Fritsky, Igor O.; Malinkin, Sergey O.; Seredyuk, Maksym
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1235 - 1239
a	12.8146 ± 0.0004 Å
b	10.1523 ± 0.0004 Å
c	27.5618 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3585.7 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
295715 (current)	2024-11-01	cif/ Adding structures of 2023301 via cif-deposit CGI script.	2023301.cif