Information card for entry 2016379

Structure parameters

• Chemical name: [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) methanol solvate
• Formula: C49 H32 N4 O9 Pd
• Calculated formula: C49 H32 N4 O9 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: 31.0347 ± 0.0006 Å
• b: 15.9441 ± 0.0011 Å
• c: 18.3824 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9096 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes