Information card for entry 4073094

Structure parameters

• Formula: C21 H37 F6 N2 Pd S Sb
• Calculated formula: C21 H37 F6 N2 Pd S Sb
• SMILES: [Pd]123([S]([C@@H](CN4C=1N(C=C4)C(C)(C)C)C(C)C)C1CCCCC1)[CH](=[CH2]2)C3.[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: 8.9666 ± 0.0003 Å
• b: 9.1795 ± 0.0003 Å
• c: 15.8847 ± 0.0005 Å
• α: 90°
• β: 90.09 ± 0.001°
• γ: 90°
• Cell volume: 1307.45 ± 0.07 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: 0.015
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No