Information card for entry 7112552

Structure parameters

• Formula: C99 H77 I N8 Ni2
• Calculated formula: C99 H77 I N8 Ni2
• Title of publication: Diastereoselective methylation of bis(N-confused porphyrinatonickel(II)): access to configurationally stable chiral bis(porphyrinoid) and non-symmetric dimers.
• Authors of publication: Chmielewski, Piotr J.; Maciołek, Justyna
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 428 - 430
• a: 21.8601 ± 0.0007 Å
• b: 24.5782 ± 0.001 Å
• c: 17.3598 ± 0.0009 Å
• α: 90°
• β: 106.971 ± 0.004°
• γ: 90°
• Cell volume: 8920.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2017
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No