Information card for entry 7041658

Structure parameters

• Formula: C44 H74 Ru4
• Calculated formula: C44 H68 Ru4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345[Ru]23457([c]8([c]2([c]3(C)[c]5([c]48C)C)C)CC)[Ru]23451([c]1([c]2([c]3([c]5([c]41C)C)C)C)CC)[Ru]123467[c]5([c]1([c]2([c]3([c]45C)C)C)C)CC)C)C)C)CC
• Title of publication: Synthesis and characterisation of tetranuclear ruthenium polyhydrido clusters with pseudo-tetrahedral geometry.
• Authors of publication: Kameo, Hajime; Ito, Yutaka; Shimogawa, Ryuichi; Koizumi, Asuka; Chikamori, Hiroki; Fujimoto, Junko; Suzuki, Hiroharu; Takao, Toshiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5631 - 5643
• a: 15.3508 ± 0.0006 Å
• b: 17.1336 ± 0.0006 Å
• c: 16.1327 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4243.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No