Information card for entry 4077992

Structure parameters

• Formula: C46 H46 Ge N O2 P Ru S2
• Calculated formula: C46 H46 Ge N O2 P Ru S2
• SMILES: C(#[O])[Ru]1(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=C(N(CC)CC)S1)[Ge](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Selective Substitution of One of the Substituents on Germanium in Coordinatively Unsaturated Ruthenium Germyl Complexes
• Authors of publication: Boyd, Peter D. W.; Hart, Michael C.; Pritzwald-Stegmann, Julian R. F.; Roper, Warren R.; Wright, L. James
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2914
• a: 10.6616 ± 0.0002 Å
• b: 16.7869 ± 0.0003 Å
• c: 24.0182 ± 0.0004 Å
• α: 90°
• β: 100.641 ± 0.001°
• γ: 90°
• Cell volume: 4224.74 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No