Information card for entry 4505733

Structure parameters

• Formula: C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pd
• Calculated formula: C66 H44 Cu1.5 N7 Na1.5 O9 Pd
• 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: 12.874 ± 0.0002 Å
• b: 13.079 ± 0.0002 Å
• c: 16.471 ± 0.0004 Å
• α: 86.193 ± 0.0006°
• β: 85.954 ± 0.0006°
• γ: 80.815 ± 0.0007°
• Cell volume: 2726.7 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No