Information card for entry 4112410

Structure parameters

• Chemical name: Chlorocadmium(II) 6,11,16,21-Tetraphenyl-m-benziporphyrin chloroform 1.5 solvate, dodecane 0.25 solvate
• Formula: C52.5 H35 Cd Cl5.5 N3
• Calculated formula: C53.55 H35.5105 Cd Cl6.137 N3
• Title of publication: Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions
• Authors of publication: Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4566 - 4580
• a: 12.3457 ± 0.0001 Å
• b: 12.7898 ± 0.0001 Å
• c: 35.4098 ± 0.0002 Å
• α: 81.265 ± 0.006°
• β: 82.568 ± 0.006°
• γ: 59.937 ± 0.008°
• Cell volume: 4773.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No