Information card for entry 4114737

Structure parameters

• Chemical name: Chlorocadmium(II) 5,10,15,20-tetraphenyl-p-benziporphyrin chloroform-d disolvate
• Formula: C48 H30 Cd Cl7 D2 N3
• Calculated formula: C48 H30 Cd Cl7 D2 N3
• Title of publication: Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core
• Authors of publication: Marcin Stępień; Lechosław Latos-Grażyński
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3838 - 3839
• a: 9.0546 ± 0.0005 Å
• b: 13.9101 ± 0.0008 Å
• c: 18.5544 ± 0.0011 Å
• α: 69.39 ± 0.005°
• β: 86.016 ± 0.005°
• γ: 79.09 ± 0.005°
• Cell volume: 2147.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No