Information card for entry 2006178

Structure parameters

• Chemical name: 9,12-dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda- closo-dodecaborane‒dichloromethane(1/1)
• Formula: C39 H42 B9 Br2 Cl2 P2 Rh
• Calculated formula: C39 H42 B9 Br2 Cl2 P2 Rh
• SMILES: [RhH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([CH]123[BH]4567)([CH]148[BH]5149)([BH]185[B]418(Br)[BH]793%10)([BH]154[B]3815Br)[BH]124[BH]356%10.ClCCl
• Title of publication: 9,12-Dibromo-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-hydrido-3-rhoda-<i>closo</i>-dodecaborane‒Dichloromethane (1/1)
• Authors of publication: McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 685 - 687
• a: 13.811 ± 0.002 Å
• b: 14.0419 ± 0.0015 Å
• c: 22.409 ± 0.003 Å
• α: 90°
• β: 97.391 ± 0.011°
• γ: 90°
• Cell volume: 4309.7 ± 1 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.1302
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections: 0.919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No