Information card for entry 4082799

Structure parameters

• Formula: C26 H44 Ni Sn2
• Calculated formula: C26 H44 Ni Sn2
• SMILES: [Sn]1([c]23[Ni]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([Sn]1(C(C)(C)C)C(C)(C)C)[cH]7[cH]8[cH]9[cH]%102)(C(C)(C)C)C(C)(C)C
• Title of publication: Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry
• Authors of publication: Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1659
• a: 16.75 ± 0.001 Å
• b: 9.2037 ± 0.0006 Å
• c: 18.4955 ± 0.0011 Å
• α: 90°
• β: 110.252 ± 0.003°
• γ: 90°
• Cell volume: 2675 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0174
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No