Information card for entry 7017683

Structure parameters

• Formula: C40 H28 N4 Zn
• Calculated formula: C40 H28 N4 Zn
• SMILES: c12=Cc3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Zn](n78)([n]56)n34)c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Control over the oxidative reactivity of metalloporphyrins. Efficient electrosynthesis of meso,meso-linked zinc porphyrin dimer.
• Authors of publication: Dime, Abdou K. D.; Devillers, Charles H.; Cattey, Hélène; Habermeyer, Benoît; Lucas, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 929 - 936
• a: 22.8237 ± 0.0007 Å
• b: 9.3135 ± 0.0003 Å
• c: 15.0499 ± 0.0005 Å
• α: 90°
• β: 107.296 ± 0.0014°
• γ: 90°
• Cell volume: 3054.47 ± 0.17 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No