Information card for entry 7101764

Structure parameters

• Formula: C34.5 H35 I2 N2 P Pd
• Calculated formula: C34.5 H35 I2 N2 P Pd
• Title of publication: Preparation and characterization of the first pyrazole-based remote N-heterocyclic carbene complexes of palladium(II).
• Authors of publication: Han, Yuan; Huynh, Han Vinh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 10
• Pages of publication: 1089 - 1091
• a: 9.3123 ± 0.0004 Å
• b: 16.8404 ± 0.0007 Å
• c: 21.6379 ± 0.0009 Å
• α: 90°
• β: 95.719 ± 0.001°
• γ: 90°
• Cell volume: 3376.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No