Information card for entry 7105803

Structure parameters

• Chemical name: 1,3-di-(dimethylamino-methylidenyl)-indan-2-ylidenyl-chloro- bis-(triphenylphosphine)-palladium(ii) tetrafluoroborate dichloromethane solute
• Formula: C52 H50 B Cl3 F4 N2 P2 Pd
• Calculated formula: C52 H50 B Cl3 F4 N2 P2 Pd
• SMILES: C1(=[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)Cl)C(c2ccccc2C1=CN(C)C)=CN(C)C.C(Cl)Cl.[B](F)(F)(F)[F-]
• 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: 15.6561 ± 0.0002 Å
• b: 15.0722 ± 0.0001 Å
• c: 20.3553 ± 0.0002 Å
• α: 90°
• β: 94.51 ± 0.001°
• γ: 90°
• Cell volume: 4788.41 ± 0.08 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: 0.0577
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No