Information card for entry 4505735

Structure parameters

• Formula: C48 H68 Cu2 N16 O12 Pt
• Calculated formula: C48 H68 Cu2 N16 O12 Pt
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(n2[Pt]([n]34)(n56)[n]78)cc1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[Cu]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].O.[Cu]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].O.O.O
• Title of publication: Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin
• Authors of publication: Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 855
• a: 16.194 ± 0.0008 Å
• b: 35.132 ± 0.0013 Å
• c: 6.693 ± 0.0003 Å
• α: 90°
• β: 106.638 ± 0.002°
• γ: 90°
• Cell volume: 3648.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No