Information card for entry 7105810

Structure parameters

• Chemical name: 2,5-di-(dimethyl-aminomethylidenyl)-cylcopentan-1-ylidene-chloro- bis(triphenylphosphine)palladium(ii) tetrafluoroborate dichloromethane solute
• Formula: C48 H50 B Cl3 F4 N2 P2 Pd
• Calculated formula: C48 H50 B Cl3 F4 N2 P2 Pd
• Title of publication: Metal complexes with carbene ligands stabilized by lateral enamines
• Authors of publication: Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 776
• a: 15.1142 ± 0.0025 Å
• b: 19.5329 ± 0.0032 Å
• c: 21.575 ± 0.0026 Å
• α: 90°
• β: 134.308 ± 0.008°
• γ: 90°
• Cell volume: 4558 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No