Information card for entry 2210747

Structure parameters

• Chemical name: [29H,31H-Tetrabenzo[b,g,l,q]porphinato(2-)- κ^4^N^21^,N^22^,N^23^,N^24^]copper(II)
• Formula: C36 H20 Cu N4
• Calculated formula: C36 H20 Cu N4
• SMILES: c12=Cc3[n]4[Cu]56n2c(=Cc2[n]5c(=Cc5c7ccccc7c(C=c4c4ccccc34)n65)c3c2cccc3)c2c1cccc2
• Title of publication: [29<i>H</i>,31<i>H</i>-Tetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphinato(2‒)-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(II)
• Authors of publication: Aramaki, Shinji; Sakai, Yoshimasa; Yanagisawa, Hiroyuki; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2616 - m2617
• a: 12.339 ± 0.002 Å
• b: 6.594 ± 0.0012 Å
• c: 14.908 ± 0.003 Å
• α: 90°
• β: 101.537 ± 0.012°
• γ: 90°
• Cell volume: 1188.5 ± 0.4 ų
• Cell temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes