Information card for entry 7005062

Structure parameters

• Common name: (Zn(alpha-OMe-4-mecdpm)!2$)
• Formula: C36 H30 N4 O6 Zn
• Calculated formula: C36 H30 N4 O6 Zn
• SMILES: c1ccc2C(=c3ccc([n]3[Zn]3(n12)n1cccc1C(=c1ccc([n]31)OC)c1ccc(cc1)C(=O)OC)OC)c1ccc(cc1)C(=O)OC
• Title of publication: Preparation and characterization of asymmetric alpha-alkoxy dipyrrin ligands and their metal complexes.
• Authors of publication: Halper, Sara R.; Stork, Jay R.; Cohen, Seth M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 10
• Pages of publication: 1067 - 1074
• a: 11.9083 ± 0.0007 Å
• b: 11.9234 ± 0.0007 Å
• c: 12.0192 ± 0.0007 Å
• α: 69.481 ± 0.001°
• β: 88.643 ± 0.001°
• γ: 78.756 ± 0.001°
• Cell volume: 1565.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No