Information card for entry 4077216

Structure parameters

• Formula: C20 H36 Mo Ru
• Calculated formula: C20 H36 Mo Ru
• SMILES: [Ru]1234567([MoH3]89%10%11([H]5)([H]6)([H]7)[c]5([c]8([c]9([c]%10([c]%115C)C)C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis, Characterization, and Structure Determination of the Heterobimetallic Polyhydride Complexes (C5Me5)Ru(μ-H)3MH3(C5Me5) (M = Mo, W) Containing Group VI and Group VIII Metals
• Authors of publication: Shima, Takanori; Ito, Jun-ichi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 10
• a: 11.004 ± 0.004 Å
• b: 14.024 ± 0.004 Å
• c: 14.149 ± 0.004 Å
• α: 90°
• β: 107.64 ± 0.02°
• γ: 90°
• Cell volume: 2080.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No