Information card for entry 4076110

Structure parameters

• Formula: C17 H25 B10 Co2 O5 Rh S2
• Calculated formula: C17 H25 B10 Co2 O5 Rh S2
• SMILES: [Rh]1234567([Co]89([Co]1([S]2[C]12%10%11[C]%12%13%14([S]38)[BH]381[BH]1%15%12[BH]%12%16%13[BH]%132%14[BH]2%14%10[BH]%10%113[BH]381[BH]1%15%12[BH]%16%132[BH]%14%1031)(C9=O)(C#[O])C#[O])(C#[O])C#[O])[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)
• Authors of publication: Cai, Shuyi; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5280
• a: 10.123 ± 0.002 Å
• b: 15.764 ± 0.004 Å
• c: 34.566 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5516 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No