Information card for entry 4308961

Structure parameters

• Formula: C50 H60 Cl4 Cu2 N10 O10
• Calculated formula: C50 H60 Cl4 Cu2 N10 O10
• Title of publication: A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals
• Authors of publication: Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2125 - 2127
• a: 9.4951 ± 0.0002 Å
• b: 15.2612 ± 0.0003 Å
• c: 20.5254 ± 0.0005 Å
• α: 105.963 ± 0.001°
• β: 100.546 ± 0.001°
• γ: 95.513 ± 0.001°
• Cell volume: 2777.34 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1555
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.506
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No