Information card for entry 2200808

Structure parameters

• Formula: C30 H27.5 Br2 N4.5 O4 Pd2
• Calculated formula: C30 H27.5 Br2 N4.5 O4 Pd2
• Title of publication: Double cyclometallation of bis[3-(3-bromophenyl)pyrazol-1-yl]methane in the bis[acetylacetonatopalladium(II)] complex
• Authors of publication: Olga Juanes; Juan-Carlos Rodriguez-Ubis; César J. Pastor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m595 - m596
• a: 35.262 ± 0.003 Å
• b: 8.3791 ± 0.0005 Å
• c: 24.9461 ± 0.0017 Å
• α: 90°
• β: 120.536 ± 0.006°
• γ: 90°
• Cell volume: 6348.4 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes