Information card for entry 4064479

Structure parameters

• Formula: C29 H46 P2 Ru Zr
• Calculated formula: C29 H46 P2 Ru Zr
• SMILES: [Ru]123456([Zr]789%10%11%12%13%14([c]%15([P]1(CC)CC)[cH]7[cH]8[cH]9[cH]%10%15)([c]1([P]2(CC)CC)[cH]%11[cH]%12[cH]%13[cH]%141)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 15.4208 ± 0.0009 Å
• b: 10.2083 ± 0.0005 Å
• c: 18.1156 ± 0.001 Å
• α: 90°
• β: 93.7475 ± 0.0017°
• γ: 90°
• Cell volume: 2845.7 ± 0.3 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.1176
• 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