Information card for entry 7702621

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 ų
• 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 Fobs: No