Information card for entry 7036537

Structure parameters

• Formula: C62 H76 Ge4 O14 Ru4
• Calculated formula: C62 H76 Ge4 O14 Ru4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]2345(C#[O])(C#[O])[Ge]12O[Ge]3(O[Ge](O[Ge](O1)(O3)[Ru]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)(C#[O])C#[O])(O2)[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O])C)C)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: All-metallagermoxane with an adamantanoid cage structure: [(Cp*Ru(CO)2Ge)4(μ-O)6] (Cp* = η(5)-C5Me5).
• Authors of publication: Bakthavachalam, K.; Yuvaraj, K.; Mondal, Bijan; Prakash, Rini; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 17920 - 17923
• a: 24.8437 ± 0.001 Å
• b: 23.3689 ± 0.0009 Å
• c: 23.9666 ± 0.0009 Å
• α: 90°
• β: 102.763 ± 0.002°
• γ: 90°
• Cell volume: 13570.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No