Information card for entry 7006269

Structure parameters

• Common name: Compound 6
• Formula: C21 H51 B11 Br6 P Rh
• Calculated formula: C16 H39 B11 Br6 P Rh
• SMILES: [Rh]12([P](C(C)C)(C(C)C)C(C)C)([CH2]=[CH]1C(C)(C)C)[Br][B]1345[BH]678[CH]9%10%11[BH]%12%136[BH]6%149[BH]9%15%10[BH]17%11[B]14%15([B]4%149([B]7%136([B]38%12([B]5147Br)[Br]2)Br)Br)Br
• 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: 16.6256 ± 0.0001 Å
• b: 19.1042 ± 0.0001 Å
• c: 13.7346 ± 0.0001 Å
• α: 90°
• β: 121.243 ± 0.0003°
• γ: 90°
• Cell volume: 3729.7 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No