Information card for entry 4086877

Structure parameters

• Formula: C38 H31 B F15 N O3 P Rh
• Calculated formula: C38 H31 B F15 N O3 P Rh
• SMILES: [Rh]12345678([cH]9[cH]6[cH]8[c]1(C)[c]3([c]49C)N=P(OCC)(O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)OCC)[CH]1CC[CH]5=[CH]2CC[CH]7=1
• Title of publication: Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand
• Authors of publication: Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 10.307 ± 0.003 Å
• b: 16.551 ± 0.004 Å
• c: 22.006 ± 0.005 Å
• α: 90°
• β: 94.23 ± 0.005°
• γ: 90°
• Cell volume: 3743.8 ± 1.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• 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: 0.0878
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No