Information card for entry 2229055

Structure parameters

• Chemical name: {<i>rac</i>-5-[Methoxy(phenyl)methyl]-10,20-diphenylporphyrinato}nickel(II)
• Formula: C40 H28 N4 Ni O
• Calculated formula: C40 H28 N4 Ni O
• Title of publication: {<i>rac</i>-5-[Methoxy(phenyl)methyl]-10,20-diphenylporphyrinato}nickel(II)
• Authors of publication: Senge, Mathias O.; Dahms, Katja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m265
• a: 10.869 ± 0.002 Å
• b: 11.984 ± 0.002 Å
• c: 12.332 ± 0.003 Å
• α: 72.356 ± 0.006°
• β: 85.305 ± 0.008°
• γ: 74.219 ± 0.007°
• Cell volume: 1473 ± 0.5 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes