Information card for entry 7004944

Structure parameters

• Formula: C28 H38 N6 Zn
• Calculated formula: C28 H38 N6 Zn
• SMILES: Cc1c(c(c2=Cc3c(c(c4C=c5c(c(c(C)[n]5[Zn]([n]12)(n34)N=N#N)CC)CC)CC)CC)CC)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: 15.5919 ± 0.0008 Å
• b: 17.4451 ± 0.0009 Å
• c: 19.8805 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5407.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No