Information card for entry 7211626

Structure parameters

• Common name: chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii) 1.5 pyridine solvate
• Chemical name: chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III) 1.5 pyridine solvate
• Formula: C43.5 H51.5 Cl In N5.5
• Calculated formula: C44 H52 Cl In N5
• Title of publication: Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules
• Authors of publication: Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 866
• a: 13.4911 ± 0.0014 Å
• b: 19.0068 ± 0.0019 Å
• c: 15.2475 ± 0.0015 Å
• α: 90°
• β: 98.654 ± 0.002°
• γ: 90°
• Cell volume: 3865.3 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No