Information card for entry 4320616

Structure parameters

• Formula: C39.5 H53.5 B2 F8 N6 O4.5 Pd
• Calculated formula: C39.5 H53.5 B2 F8 N6 O4.5 Pd
• Title of publication: Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents
• Authors of publication: Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6220 - 6228
• a: 12.3417 ± 0.0009 Å
• b: 12.4393 ± 0.0009 Å
• c: 16.1222 ± 0.0011 Å
• α: 70.494 ± 0.004°
• β: 86.609 ± 0.003°
• γ: 88.409 ± 0.004°
• Cell volume: 2328.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No