Information card for entry 7004938

Structure parameters

• Formula: C28 H34 Cu N6
• Calculated formula: C28 H34 Cu N6
• SMILES: Cc1c(c(c2=Cc3c(c(c4C=c5c(c(c(C)[n]5[Cu]([n]12)(n34)N=C=NC#N)CC)C)CC)CC)C)CC
• Title of publication: Monomeric and polymeric copper and zinc tripyrrins.
• Authors of publication: Bröring, Martin; Prikhodovski, Serguei; Brandt, Carsten D.; Tejero, Esther Cónsul; Köhler, Silke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 200 - 208
• a: 10.078 ± 0.002 Å
• b: 11.205 ± 0.002 Å
• c: 12.676 ± 0.003 Å
• α: 111.376 ± 0.003°
• β: 102.728 ± 0.003°
• γ: 94.852 ± 0.004°
• Cell volume: 1278.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No