Information card for entry 7006268

Structure parameters

• Common name: Compound 5b
• Formula: C43 H102 B22 P2 Rh2
• Calculated formula: C43 H102 B22 P2 Rh2
• SMILES: [RhH]12345([Rh]6789([P](C%10CCCCC%10)(C%10CCCCC%10)C%10CCCCC%10)([B]%10%11%12%13([B]%14%15%161([BH]1%17%18[CH]%19%20%21[BH]%22%231[BH]1%24%19[BH]%19%25%20[BH]%14%17%21[BH]%13%16%25[BH]%12%24%19[BH]%11%231[B]2%10%15%18%22[H]5)[H]4)[H]9)[B]1245([BH]9%10%11[CH]%12%13%14[BH]%1519[BH]19%12[BH]%12%16%13[BH]%13%10%14[B]%1032%11[BH]2%16%13[BH]39%12[BH]4%151[B]65%1023[H]8)[H]7)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.CCCCC
• Title of publication: Cationic rhodium mono-phosphine fragments partnered with carborane monoanions [closo-CB11H6X6]- (X = H, Br). Synthesis, structures and reactivity with alkenes.
• Authors of publication: Molinos, Eduardo; Brayshaw, Simon K.; Kociok-Köhn, Gabrielle; Weller, Andrew S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4829 - 4844
• a: 12.3443 ± 0.0001 Å
• b: 20.1083 ± 0.0001 Å
• c: 23.4143 ± 0.0002 Å
• α: 90°
• β: 93.35°
• γ: 90°
• Cell volume: 5802.03 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No