Information card for entry 1568814

Structure parameters

• Chemical name: {(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent
• Formula: C41.666 H61.666 Cl N3 O1.333 Rh
• Calculated formula: C41.6667 H61.6667 Cl N3 O1.33333 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: 17.3674 ± 0.0001 Å
• b: 29.7047 ± 0.0002 Å
• c: 23.9524 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12356.9 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No