Information card for entry 4076108

Structure parameters

• Formula: C17 H37 B20 Cl2 O2 Rh S4 W
• Calculated formula: C17 H37 B20 Cl2 O2 Rh S4 W
• SMILES: [W]123([Rh]45678([S]1[C]19%10%11[C]%12%13%14([S]24)[BH]241[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%159[BH]941[BH]1%132[BH]%14%10%11[BH]%12%1691)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)(S[C]1245[C]678(S3)[BH]391[BH]1%102[BH]2%114[BH]456[BH]56%11[BH]%11%102[BH]291[BH]173[BH]845[BH]6%1121)(C#[O])C#[O].C(Cl)Cl
• 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: 12.287 ± 0.006 Å
• b: 13.278 ± 0.006 Å
• c: 13.865 ± 0.006 Å
• α: 73.666 ± 0.007°
• β: 65.349 ± 0.007°
• γ: 73.831 ± 0.007°
• Cell volume: 1938.9 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No