Information card for entry 4074866

Structure parameters

• Chemical name: penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- molybdenum-diruthenium
• Formula: C32 H54 Mo Ru2
• Calculated formula: C32 H54 Mo Ru2
• SMILES: [Ru]1234567([H][Ru]89%10%11%12%13([Mo]%14%15%16%171([H]6)([H]7)([H]%12)([H]%13)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]9([c]8([c]%10([c]%111C)C)C)C)CC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)CC
• Title of publication: Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand
• Authors of publication: Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1333 - 1336
• a: 11.088 ± 0.006 Å
• b: 12.012 ± 0.004 Å
• c: 12.627 ± 0.005 Å
• α: 90°
• β: 101.95 ± 0.04°
• γ: 90°
• Cell volume: 1645.3 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No