Information card for entry 7104630

Structure parameters

• Formula: C47 H55 B2 P2 Rh
• Calculated formula: C33 H39 B2 P2 Rh
• SMILES: [Rh]1234([H][BH2][P](C1[P](c1ccccc1)(c1ccccc1)[BH3])(c1ccccc1)c1ccccc1)[CH]1=[CH]4CC[CH]3=[CH]2CC1
• Title of publication: Bonding mode of a new bis-phosphine-borane alkyl ligand to a Rh(I) species.
• Authors of publication: Blug, Matthias; Grünstein, Dan; Alcaraz, Gilles; Sabo-Etienne, Sylviane; Le Goff, Xavier-Frederic; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 29
• Pages of publication: 4432 - 4434
• a: 8.882 ± 0.001 Å
• b: 14.231 ± 0.001 Å
• c: 32.194 ± 0.001 Å
• α: 90°
• β: 104.564 ± 0.001°
• γ: 90°
• Cell volume: 3938.6 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No