Information card for entry 7114727

Structure parameters

• Formula: C63 H89 B N6 Ni2 O2 S2
• Calculated formula: C63 H83 B N6 Ni2 O2 S2
• Title of publication: The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes
• Authors of publication: Kersting, Berthold; Steinfeld, Gunther
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1376
• a: 13.734 ± 0.003 Å
• b: 14.093 ± 0.003 Å
• c: 18.094 ± 0.004 Å
• α: 103.24 ± 0.03°
• β: 97.42 ± 0.03°
• γ: 98.09 ± 0.03°
• Cell volume: 3327.5 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2617
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections: 0.3036
• Weighted residual factors for significantly intense reflections: 0.2381
• Goodness-of-fit parameter for all reflections: 0.853
• Goodness-of-fit parameter for significantly intense reflections: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No