Information card for entry 2008570

Structure parameters

• Chemical name: aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)
• Formula: C24 H21 Cl Cu N4 O11
• Calculated formula: C24 H21 Cl Cu N4 O11
• SMILES: [Cu]12(Cl)([OH2])([O]=C(O)C3=NN(c4c(C3=[O]1)cc1OCOc1c4)CC)OC(=O)C1=NN(c3c(C1=[O]2)cc1OCOc1c3)CC
• Title of publication: [CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]
• Authors of publication: Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 878 - 880
• a: 8.8712 ± 0.0018 Å
• b: 10.2642 ± 0.0012 Å
• c: 14.4412 ± 0.0009 Å
• α: 98.78 ± 0.005°
• β: 92.483 ± 0.009°
• γ: 104.804 ± 0.014°
• Cell volume: 1251.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes