Information card for entry 4077962

Structure parameters

• Formula: C102 H98 B2 P6 Rh2
• Calculated formula: C102 H98 B2 P6 Rh2
• SMILES: [P]1([RhH]234([H][RhH]563([P](c3ccccc3)(c3ccccc3)C[B](c3ccccc3)(C[P]5(c3ccccc3)c3ccccc3)C[P]6(c3ccccc3)c3ccccc3)[H]4)[P](c3ccccc3)(c3ccccc3)C[B](C1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold
• Authors of publication: Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2895
• a: 12.435 ± 0.002 Å
• b: 12.972 ± 0.002 Å
• c: 14.316 ± 0.003 Å
• α: 91.63 ± 0.002°
• β: 100.044 ± 0.002°
• γ: 114.017 ± 0.002°
• Cell volume: 2064.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No