Information card for entry 7105807

Structure parameters

• Chemical name: N-methyl-3-(dimethylamino-methylidenyl)-4,5-dihydropyrrolyliden-2-yl- bis-(triphenylphosphine)-chloro-palladium(ii) tetrafluoroborate tris-dichloromethane solute
• Formula: C93 H98 B2 Cl12 F8 N4 P4 Pd2
• Calculated formula: C93 H98 B2 Cl12 F8 N4 P4 Pd2
• 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: 32.7088 ± 0.0004 Å
• b: 16.8288 ± 0.0002 Å
• c: 23.476 ± 0.0003 Å
• α: 90°
• β: 125.39 ± 0.001°
• γ: 90°
• Cell volume: 10534.7 ± 0.3 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No