Information card for entry 4307266

Structure parameters

• Chemical name: 1,2-bis(21'-(5',10',15',20'-tetratolyl-2'-aza- 21'-carbaporphyrinatonickel(II)-methyl)benzene
• Formula: C112 H89 Cl4 N8 Ni2
• Calculated formula: C112 H89 Cl4 N8 Ni2
• Title of publication: Synthesis, Structure, and Redox Properties of N-Confused Bis(porphyrinatonickel(II)) Linked byo-Xylene
• Authors of publication: Piotr J. Chmielewski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1617 - 1626
• a: 16.455 ± 0.003 Å
• b: 16.776 ± 0.003 Å
• c: 18.4 ± 0.004 Å
• α: 77.43 ± 0.03°
• β: 75.31 ± 0.03°
• γ: 66.2 ± 0.03°
• Cell volume: 4457.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1378
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No