Information card for entry 4123243

Structure parameters

• Chemical name: [Rh(dippp)NBD][BArF4]
• Formula: C54 H54 B F24 P2 Rh
• Calculated formula: C54 H54 B F24 P2 Rh
• 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: 17.8334 ± 0.0005 Å
• b: 17.5483 ± 0.0004 Å
• c: 55.0406 ± 0.0015 Å
• α: 90°
• β: 90.957 ± 0.002°
• γ: 90°
• Cell volume: 17222.3 ± 0.8 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: 0.1346
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections: 0.2996
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9834
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No