Crystallography Open Database

Information card for entry 8105698

Preview

Coordinates	8105698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 N6 Ni3 O10 S4
Calculated formula	C48 H56 N6 Ni3 O10 S4
SMILES	[Ni]12([N]3=C(O[Ni]4([N]3=C(c3cccc(c3O4)C)O1)[n]1ccccc1)c1ccccc1)([O]=S(C)C)([N]1=C(O[Ni]3(Oc4c(C(=[N]13)O2)cccc4C)[n]1ccccc1)c1ccccc1)[O]=S(C)C.S(=O)(C)C.S(=O)(C)C
Title of publication	The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4
Authors of publication	Yang, Liguo; Wang, Xin; Zou, Kun; Hu, Shuige; Liu, Xiaozhen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	3
Pages of publication	365 - 367
a	12.3887 ± 0.0011 Å
b	15.7405 ± 0.0013 Å
c	13.4254 ± 0.0011 Å
α	90°
β	97.364 ± 0.002°
γ	90°
Cell volume	2596.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
277382 (current)	2022-08-24	cif/ Adding structures of 8105698 via cif-deposit CGI script.	8105698.cif