Information card for entry 7211628

Structure parameters

• Common name: ClInOEP.1.5chlorobenzene
• Formula: C45 H51.5 Cl2.5 In N4
• Calculated formula: C44.62 H51.5 Cl2.5 In N4
• 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: 19.8189 ± 0.0007 Å
• b: 17.9548 ± 0.0006 Å
• c: 14.098 ± 0.0005 Å
• α: 90°
• β: 124.679 ± 0.004°
• γ: 90°
• Cell volume: 4125.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No