Information card for entry 4311293

Structure parameters

• Formula: C48 H33 Cl7 Cu2 N3
• Calculated formula: C48 H33 Cl7 Cu2 N3
• Title of publication: Iron and Copper Complexes of Tetraphenyl-m-benziporphyrin: Reactivity of the Internal C-H Bond
• Authors of publication: Chen-Hsiung Hung; Fei-Chien Chang; Cheng-Yu Lin; Krystyna Rachlewicz; Marcin Stępień; Lechosław Latos-Grażyński; Gene-Hsiang Lee; Shie-Ming Peng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4118 - 4120
• a: 14.5784 ± 0.0005 Å
• b: 25.0959 ± 0.0008 Å
• c: 12.6346 ± 0.0005 Å
• α: 90°
• β: 108.462 ± 0.001°
• γ: 90°
• Cell volume: 4384.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0703
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1396
• 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: No
• Has Fobs: No