Information card for entry 4074867

Structure parameters

• Chemical name: penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- diruthenium-tungsten
• Formula: C32 H54 Ru2 W
• Calculated formula: C32 H54 Ru2 W
• SMILES: [W]1234([RuH2]56789[c]%10([c]8([c]7([c]6([c]5%10C)C)C)C)CC)([RuH2]5678([H]9)[c]9([c]5([c]6([c]7([c]89C)C)C)C)CC)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 11.116 ± 0.008 Å
• b: 12 ± 0.01 Å
• c: 12.624 ± 0.01 Å
• α: 90°
• β: 101.78 ± 0.03°
• γ: 90°
• Cell volume: 1648 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No