Information card for entry 7211627

Structure parameters

• Common name: In(OEP)Cl$.!0.5dioxane$.!benzene
• Formula: C44 H54 Cl In N4 O
• Calculated formula: C44 H54 Cl In N4 O
• 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: 13.6661 ± 0.0017 Å
• b: 19.255 ± 0.002 Å
• c: 15.2555 ± 0.0019 Å
• α: 90°
• β: 98.266 ± 0.002°
• γ: 90°
• Cell volume: 3972.6 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No