Information card for entry 7115867

Structure parameters

• Formula: C96 H53 N9 Na3 O23 Pr2
• Calculated formula: C96 H53 N9 Na3 O23 Pr2
• Title of publication: Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors
• Authors of publication: Goutam Nandi; Israel Goldberg
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13612
• a: 33.0534 ± 0.0012 Å
• b: 35.2658 ± 0.0013 Å
• c: 11.3 ± 0.0006 Å
• α: 90°
• β: 109.685 ± 0.003°
• γ: 90°
• Cell volume: 12402.1 ± 0.9 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: 0.1059
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No