Information card for entry 2016380

Structure parameters

• Chemical name: [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II)‒ <i>N</i>,<i>N</i>'-dimethylformamide‒water (1/4/4)
• Formula: C60 H64 N8 O16 Pd
• Calculated formula: C60 H64 N8 O16 Pd
• Title of publication: Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents
• Authors of publication: Sophia Lipstman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m53 - m57
• a: 7.7243 ± 0.0002 Å
• b: 13.2668 ± 0.0004 Å
• c: 14.5878 ± 0.0005 Å
• α: 81.382 ± 0.0016°
• β: 87.3282 ± 0.0017°
• γ: 87.0384 ± 0.0017°
• Cell volume: 1474.91 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes