Information card for entry 4077963

Structure parameters

• Formula: C103 H107 B2 P6 Rh2
• Calculated formula: C103 H93 B2 P6 Rh2
• SMILES: [Rh]12345([Rh]67([H]1)([H]2)([H]3)[P](c1ccccc1)(c1ccccc1)C[B](c1ccccc1)(C[P]7(c1ccccc1)c1ccccc1)C[P]6(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[B](c1ccccc1)(C[P]4(c1ccccc1)c1ccccc1)C[P]5(c1ccccc1)c1ccccc1.c1(ccccc1)C.CCCCCC
• 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: 13.276 ± 0.004 Å
• b: 13.764 ± 0.004 Å
• c: 26.816 ± 0.008 Å
• α: 99.91 ± 0.004°
• β: 94.923 ± 0.004°
• γ: 116.112 ± 0.006°
• Cell volume: 4261 ± 2 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: 0.0608
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No