Information card for entry 7004947

Structure parameters

• Formula: C32 H38 N6 Zn
• Calculated formula: C32 H38 N6 Zn
• SMILES: Cc1c(c(c2=Cc3c(c(c4C=c5c(c(c(C)[n]5[Zn]([n]12)(n34)N=C=C(C#N)C#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: 9.3616 ± 0.0009 Å
• b: 11.0049 ± 0.001 Å
• c: 14.7717 ± 0.0014 Å
• α: 83.966 ± 0.002°
• β: 89.846 ± 0.002°
• γ: 86.132 ± 0.002°
• Cell volume: 1509.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No