Information card for entry 7114725

Structure parameters

• Formula: C33 H56 Cl2 N6 Ni2 O5 S2
• Calculated formula: C33 H56 Cl2 N6 Ni2 O5 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: 23.941 ± 0.005 Å
• b: 26.974 ± 0.005 Å
• c: 12.477 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8057 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1764
• Weighted residual factors for significantly intense reflections: 0.1289
• Goodness-of-fit parameter for all reflections: 0.954
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No