Information card for entry 4334030

Structure parameters

• Formula: C64 H54 Cl2 Cu N4 O P
• Calculated formula: C61 H47 Cl2 Cu N4 O P
• Title of publication: Copper(II) Thiaethyneporphyrin and Copper(II) 21-Phosphoryl N-confused Porphyrin Hybrids. Intramolecular Copper(II)-Carbon Interaction Inside of a Porphyrinoid Surrounding
• Authors of publication: Norbert Grzegorzek; Elżbieta Nojman; Ludmiła Szterenberg; Lechosław Latos-Grażyński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2599 - 2606
• a: 13.2516 ± 0.0004 Å
• b: 14.4 ± 0.0004 Å
• c: 14.643 ± 0.0003 Å
• α: 82.4 ± 0.002°
• β: 77.498 ± 0.002°
• γ: 67.497 ± 0.003°
• Cell volume: 2516.47 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No