Information card for entry 4082245

Structure parameters

• Formula: C18 H25 B10 O6 Rh Se2 W
• Calculated formula: C18 H25 B10 O6 Rh Se2 W
• SMILES: [Rh]12345([Se][C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%15[BH]%15%146[BH]6%11%13[BH]%11%13%10[BH]78([BH]%17%156%11)[C]9%12%16%13[Se]1[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)C#[O]
• 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: 11.273 ± 0.003 Å
• b: 14.837 ± 0.004 Å
• c: 19.172 ± 0.006 Å
• α: 68.45 ± 0.005°
• β: 80.684 ± 0.005°
• γ: 89.393 ± 0.005°
• Cell volume: 2939 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4076109
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No