Information card for entry 7000277

Structure parameters

• Formula: C40 H60 Ga Ru3
• Calculated formula: C40 H60 Ga Ru3
• SMILES: [Ru]123456([Ru]789%10%11([Ru]%12%13%14%151([Ga]27C1(C(=C(C(=C1C)C)C)C)C)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and structure of electron rich ruthenium polyhydride complexes and clusters containing AlCp* and GaCp*
• Authors of publication: Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Fischer, Roland A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 322 - 329
• a: 10.9515 ± 0.0014 Å
• b: 18.382 ± 0.003 Å
• c: 19.955 ± 0.003 Å
• α: 87.387 ± 0.011°
• β: 88.635 ± 0.011°
• γ: 89.897 ± 0.011°
• Cell volume: 4011.8 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1362
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No