Information card for entry 4314894

Structure parameters

• Formula: C57 H41 N5 O4 Sn
• Calculated formula: C57 H34 N5 O4 Sn
• Title of publication: Design and Synthesis of Sn-Porphyrin Based Molecular Gates
• Authors of publication: Aurélie Guenet; Ernest Graf; Nathalie Kyritsakas; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1872 - 1883
• a: 8.1031 ± 0.0005 Å
• b: 24.3383 ± 0.0014 Å
• c: 11.0133 ± 0.0006 Å
• α: 90°
• β: 94.753 ± 0.003°
• γ: 90°
• Cell volume: 2164.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No