Information card for entry 4074513

Structure parameters

• Formula: C17 H24 F6 N4 O2 P Rh
• Calculated formula: C17 H24 F6 N4 O2 P Rh
• SMILES: [Rh]1(=C2N(C=CN2CN2C=1N(C=C2)C(C)(C)C)C(C)(C)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)
• Authors of publication: Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6099
• a: 12.398 ± 0.003 Å
• b: 12.884 ± 0.003 Å
• c: 14.925 ± 0.003 Å
• α: 90°
• β: 113.66 ± 0.03°
• γ: 90°
• Cell volume: 2183.7 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No