Information card for entry 4338887

Structure parameters

• Formula: C56.5 H40 N5.5 O0.5 Zn
• Calculated formula: C56.5 H40 N5.5 O0.5 Zn
• Title of publication: Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.
• Authors of publication: Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7351 - 7361
• a: 11.17 ± 0.003 Å
• b: 11.284 ± 0.003 Å
• c: 22.556 ± 0.006 Å
• α: 80.641 ± 0.004°
• β: 86.847 ± 0.006°
• γ: 73.517 ± 0.005°
• Cell volume: 2689.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1723
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No