Information card for entry 4077961

Structure parameters

• Formula: C69 H50 B3 D18 F8 N3 P3 Rh
• Calculated formula: C69 H68 B3 F8 N3 P3 Rh
• SMILES: [Rh]12([P](c3ccccc3)(c3ccccc3)C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].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: 12.9713 ± 0.001 Å
• b: 13.0463 ± 0.001 Å
• c: 19.7923 ± 0.0015 Å
• α: 80.6362 ± 0.001°
• β: 76.7235 ± 0.001°
• γ: 79.77 ± 0.001°
• Cell volume: 3182 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No