Information card for entry 7109705

Structure parameters

• Formula: C41.16 H29.16 Cl9.49 N6 O4 Pd2
• Calculated formula: C41.1633 H29.1633 Cl9.49 N6 O4 Pd2
• Title of publication: Hexagonal molecular 'palladawheel'
• Authors of publication: Qi-Qiang Wang; Victor W. Day; Kristin Bowman-James
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8042
• a: 16.5286 ± 0.0002 Å
• b: 16.5286 ± 0.0002 Å
• c: 30.1709 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7138.24 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No