Information card for entry 4083991

Structure parameters

• Formula: C20 H30 F6 N4 O2 P Rh
• Calculated formula: C20 H30 F6 N4 O2 P Rh
• SMILES: [Rh]1(=C2N(C=CN2CCCCN2C=1N(C=C2)CCCC)CCCC)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactivity Differences in the Syntheses of Chelating N-Heterocyclic Carbene Complexes of Rhodium Are Ascribed to Ligand Anisotropy
• Authors of publication: Mata, José A.; Chianese, Anthony R.; Miecznikowski, John R.; Poyatos, Macarena; Peris, Eduardo; Faller, Jack W.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1253
• a: 8.0673 ± 0.0002 Å
• b: 17.9244 ± 0.0005 Å
• c: 17.2088 ± 0.0005 Å
• α: 90°
• β: 92.3168 ± 0.0011°
• γ: 90°
• Cell volume: 2486.38 ± 0.12 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 7
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No