Information card for entry 7004937

Structure parameters

• Formula: C28 H38 Cl Cu N3
• Calculated formula: C28 H38 Cl Cu N3
• SMILES: Cl[Cu]12[n]3c(C)c(c(c3=Cc3c(c(c(C=c4c(c(c(C)[n]24)CC)CC)n13)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: 9.3967 ± 0.0011 Å
• b: 11.7846 ± 0.0014 Å
• c: 14.3926 ± 0.0017 Å
• α: 66.798 ± 0.002°
• β: 75.999 ± 0.002°
• γ: 69.868 ± 0.002°
• Cell volume: 1364.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No