Information card for entry 7225652

Structure parameters

• Formula: C18 H14 Cl4 Cu N4 O10
• Calculated formula: C18 H14 Cl4 Cu N4 O10
• SMILES: C12C(=C(C(=O)C(=O)C=1Cl)Cl)O[Cu]1(O2)(OC2C(=C(C(=O)C(=O)C=2Cl)Cl)O1)([OH2])[OH2].c1[nH]cc[nH+]1.c1[nH]cc[nH+]1
• Title of publication: From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization
• Authors of publication: Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.2635 ± 0.001 Å
• b: 8.7473 ± 0.0008 Å
• c: 9.1791 ± 0.0007 Å
• α: 70.332 ± 0.008°
• β: 71.57 ± 0.009°
• γ: 67.319 ± 0.01°
• Cell volume: 563.05 ± 0.11 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: 0.0463
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No