Information card for entry 4073095

Structure parameters

• Formula: C30 H40 F6 N2 Rh S Sb
• Calculated formula: C30 H40 F6 N2 Rh S Sb
• SMILES: [Rh]1234([S]([C@@H](CN5C=1N1C(=C5)C=Cc5ccccc15)C(C)C)C1CCCCC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Imidazo[1,5-a]pyridin-3-ylidene/Thioether Mixed C/S Ligands and Complexes Thereof§
• Authors of publication: Roseblade, Stephen J.; Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2570
• a: 11.9786 ± 0.0005 Å
• b: 22.1371 ± 0.0008 Å
• c: 13.5137 ± 0.0005 Å
• α: 90°
• β: 108.129 ± 0.001°
• γ: 90°
• Cell volume: 3405.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No