Information card for entry 4076105

Structure parameters

• Formula: C26 H50 B20 O2 Rh2 S4 W
• Calculated formula: C26 H50 B20 O2 Rh2 S4 W
• SMILES: [Rh]1234567([W]89%10%11([Rh]%12%13%14%15%16([S]9[C]9%17%18%19[C]%20%21%22([S]%10%12)[BH]%10%129[BH]9%23%20[BH]%20%24%21[BH]%21%17%22[BH]%17%22%18[BH]%18%19%10[BH]%10%129[BH]9%23%20[BH]%24%21%17[BH]%22%18%109)(C%11=O)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)([S]1[C]19%10%11[C]%12%13%14([S]28)[BH]281[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%129[BH]9%13%10[BH]%10%142[BH]281[BH]%15%16%11[BH]%129%102)C3=O)[c]1([c]4([c]5([c]6([c]71C)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: 14.086 ± 0.007 Å
• b: 21.333 ± 0.01 Å
• c: 15.408 ± 0.008 Å
• α: 90°
• β: 109.958 ± 0.007°
• γ: 90°
• Cell volume: 4352 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No