Information card for entry 4338885

Structure parameters

• Formula: C67 H48 Cl Mn N10 O6
• Calculated formula: C67 H48 Cl Mn N10 O6
• 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: 12.92 ± 0.0012 Å
• b: 13.9061 ± 0.0012 Å
• c: 16.0531 ± 0.0014 Å
• α: 93.852 ± 0.002°
• β: 94.519 ± 0.002°
• γ: 96.53 ± 0.002°
• Cell volume: 2848.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No