Information card for entry 4340440

Structure parameters

• Common name: PD1 Copper(II) Complex
• Chemical name: (Z)-Ethyl-5-[5-(2,2'-bipyrrol)-5'-ylidene(phenyl)methyl]-pyrrole-2- carboxylate Copper(II) Hydrate
• Formula: C22 H20.6 Cu N3 O3.8
• Calculated formula: C22 H17 Cu N3 O2.55
• Title of publication: Prodigiosin analogue designed for metal coordination: stable zinc and copper pyrrolyldipyrrins.
• Authors of publication: Chang, Tsuhen M.; Sinharay, Sanhita; Astashkin, Andrei V.; Tomat, Elisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7518 - 7526
• a: 16.847 ± 0.004 Å
• b: 16.69 ± 0.004 Å
• c: 7.3211 ± 0.0018 Å
• α: 90°
• β: 100.475 ± 0.007°
• γ: 90°
• Cell volume: 2024.2 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No