Information card for entry 4123241

Structure parameters

• Chemical name: [Rh(dippe)NBD][BArF4]
• Formula: C53 H52 B F24 P2 Rh
• Calculated formula: C53 H52 B F24 P2 Rh
• SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.[CH]12=[CH]3C4[CH]5=[CH](C1C4)[Rh]1235[P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).
• Authors of publication: Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 820 - 833
• a: 36.6257 ± 0.0004 Å
• b: 12.8599 ± 0.0001 Å
• c: 24.181 ± 0.0003 Å
• α: 90°
• β: 100.088 ± 0.0005°
• γ: 90°
• Cell volume: 11213.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No