Information card for entry 7037913

Structure parameters

• Formula: C24 H20 Cl2 Cu N2 O5
• Calculated formula: C24 H20 Cl2 Cu N2 O5
• SMILES: C(=O)(c1ccc(cc1)Cl)O[Cu]([n]1ccccc1)([OH2])([n]1ccccc1)OC(=O)c1ccc(cc1)Cl
• Title of publication: The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.
• Authors of publication: Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3398 - 3406
• a: 15.8329 ± 0.0004 Å
• b: 5.82472 ± 0.00013 Å
• c: 14.7176 ± 0.0003 Å
• α: 90°
• β: 122.072 ± 0.0009°
• γ: 90°
• Cell volume: 1150.14 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No