Information card for entry 4117152

Structure parameters

• Formula: C52 H39 I N4 Ni
• Calculated formula: C52 H35 I N4 Ni
• Title of publication: Reactions of Nickel(II) 2-Aza-5,10,15,20-tetraphenyl-21- carbaporphyrin with Methyl Iodide. The First Structural Characterization of a Paramagnetic Organometallic Nickel(II) Complex
• Authors of publication: Piotr J. Chmielewski; Lechosław Latos-Grażyński; Tadeusz Głowiak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 5690 - 5701
• a: 12.946 ± 0.003 Å
• b: 23.519 ± 0.005 Å
• c: 13.945 ± 0.003 Å
• α: 90°
• β: 93.2 ± 0.03°
• γ: 90°
• Cell volume: 4239.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.144
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No