Information card for entry 1568812

Structure parameters

• Chemical name: {[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]
• Formula: C67 H59 B F24 N3 Rh
• Calculated formula: C67 H59 B F24 N3 Rh
• Title of publication: Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand
• Authors of publication: Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4627 - 4632
• a: 17.5964 ± 0.0002 Å
• b: 17.6516 ± 0.0002 Å
• c: 22.6324 ± 0.0002 Å
• α: 90°
• β: 104.783 ± 0.001°
• γ: 90°
• Cell volume: 6797.04 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No