Information card for entry 4306338

Structure parameters

• Common name: (ipapdpm)CuCl
• Formula: C24 H30 Cl Cu N4 O3.5
• Calculated formula: C24 H30 Cl Cu N4 O3.5
• SMILES: [Cu]123(n4c(ccc4C(=c4ccc(C(NC(C)C)=[O]3)[n]14)c1ccccc1)C(NC(C)C)=[O]2)Cl.CO.O
• Title of publication: Diamidodipyrrins: Versatile Bipyrrolic Ligands with Multiple Metal Binding Modes
• Authors of publication: Van S. Thoi; Jay R. Stork; Edwards T. Niles; Ezra C. Depperman; David L. Tierney; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10533 - 10541
• a: 11.85 ± 0.004 Å
• b: 16.419 ± 0.005 Å
• c: 25.676 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4996 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No