Information card for entry 4349154

Structure parameters

• Formula: C44.62 H30.62 Br0.62 Cl5.24 N5 O2 P
• Calculated formula: C44.619 H30.619 Br0.619 Cl5.238 N5 O2 P
• Title of publication: Phosphorus(V) Porphyrin-Based Molecular Turnstiles.
• Authors of publication: Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu; Hosseini, Mir Wais
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10774 - 10782
• a: 17.106 ± 0.002 Å
• b: 14.2223 ± 0.0018 Å
• c: 17.709 ± 0.002 Å
• α: 90°
• β: 102.067 ± 0.004°
• γ: 90°
• Cell volume: 4213.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1711
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No