Information card for entry 7101585

Structure parameters

• Formula: C43 H26 N4 Ni O2
• Calculated formula: C43 H26 N4 Ni O2
• Title of publication: Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation
• Authors of publication: J.Zaleski; Tillmann Kopke; Maren Pink
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 47
• a: 15.117 ± 0.004 Å
• b: 15.117 ± 0.004 Å
• c: 13.535 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3093 ± 1.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No