Information card for entry 4074868

Structure parameters

• Chemical name: penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)-dihydrido- ruthenium-ditungsten
• Formula: C31 H54 Ru W2
• Calculated formula: C31 H47 Ru W2
• SMILES: [W]1234([W]5678([Ru]9%10%11%12[c]%13([c]%10([c]%11([c]%12([c]9%13C)C)C)C)CC)[c]9([c]6([c]7([c]8([c]59C)C)C)C)C)[c]5([c]2([c]3([c]4([c]51C)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: 8.039 ± 0.008 Å
• b: 11.224 ± 0.016 Å
• c: 19.51 ± 0.03 Å
• α: 94.46 ± 0.03°
• β: 100.65 ± 0.03°
• γ: 110.17 ± 0.03°
• Cell volume: 1605 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No