Information card for entry 4339264

Structure parameters

• Chemical name: 5,20-diphenyl-10,15-di-p-tolil-2-pirolil-21-carbaporphyrinato copper(II)
• Formula: C50 H34 Cu N4 O
• Calculated formula: C50 H34 Cu N4 O
• Title of publication: Copper(II) and copper(III) complexes of pyrrole-appended oxacarbaporphyrin.
• Authors of publication: Pawlicki, Miłosz; Kańska, Izabela; Latos-Grazyński, Lechosław
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6575 - 6584
• a: 10.3208 ± 0.0019 Å
• b: 23.474 ± 0.005 Å
• c: 14.752 ± 0.003 Å
• α: 90°
• β: 97.608 ± 0.015°
• γ: 90°
• Cell volume: 3542.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1052
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No