Crystallography Open Database

Information card for entry 7702621

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Structure parameters

Common name	[Ni(NCS)~2~(IMmepy)~2~]
Chemical name	Bis(thiocyanato)bis(2-(6'-methyl-2'-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxy)nickel(II)
Formula	C28 H36 N8 Ni O2 S2
Calculated formula	C28 H36 N8 Ni O2 S2
Title of publication	Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†
Authors of publication	Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	19
Pages of publication	2943
a	11.904 ± 0.004 Å
b	17.073 ± 0.003 Å
c	15.216 ± 0.002 Å
α	90°
β	94.728 ± 0.019°
γ	90°
Cell volume	3081.9 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7702621.cif
243925	2019-11-28	cif/ Adding structures of 7702615, 7702616, 7702617, 7702618, 7702619, 7702620, 7702621 via cif-deposit CGI script.	7702621.cif