Information card for entry 4064477

Structure parameters

• Formula: C28 H43 Cl Hf P2 Ru
• Calculated formula: C28 H43 Cl Hf P2 Ru
• SMILES: [Hf]123456789%10([Ru]%11%12%13%14([P]([c]%156[cH]7[cH]8[cH]9[cH]%10%15)(CC)CC)([P]([c]61[cH]2[cH]3[cH]4[cH]56)(CC)CC)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)Cl
• Title of publication: Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes
• Authors of publication: Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2394
• a: 10.0904 ± 0.0004 Å
• b: 18.1821 ± 0.0007 Å
• c: 15.297 ± 0.0005 Å
• α: 90°
• β: 91.3746 ± 0.0011°
• γ: 90°
• Cell volume: 2805.65 ± 0.18 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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 significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No