Information card for entry 4322913

Structure parameters

• Chemical name: Di(2,6-di(aminomethyl)-4-tert-butyl-thiophenolato)dinickel(II)- di(tetraphenylborate)-methanol-acetonitrile
• Formula: C75 H85 B2 N5 Ni2 O S2
• Calculated formula: C75 H81 B2 N5 Ni2 O S2
• Title of publication: First Examples of Dinickel Complexes Containing the N3Ni(μ2-SR)3NiN3 Core. Synthesis and Crystal Structures of [L2Ni2][BPh4]2 and [L3Ni2][BPh4]2 (L = 2,6-Di(aminomethyl)-4-tert-butyl-thiophenolate)
• Authors of publication: Berthold Kersting; Dieter Siebert
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3820 - 3828
• a: 21.94 ± 0.004 Å
• b: 13.901 ± 0.003 Å
• c: 23.918 ± 0.005 Å
• α: 90°
• β: 110 ± 0.03°
• γ: 90°
• Cell volume: 6855 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1852
• Weighted residual factors for significantly intense reflections: 0.1475
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No