Information card for entry 4320997

Structure parameters

• Formula: C6 H11 N5 O4 Pd
• Calculated formula: C6 H11 N5 O4 Pd
• Title of publication: Self-Assembly of Palladium(II) and Platinum(II) Complexes of 2-Hydroxypyrimidine to Novel Metallacalix[4]arenes. Receptor Properties through Multiple H-Bonding Interactions
• Authors of publication: Jorge A. R. Navarro; Eva Freisinger; Bernhard Lippert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2301 - 2305
• a: 16.063 ± 0.002 Å
• b: 16.063 ± 0.002 Å
• c: 8.649 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2231.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0572
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No