Information card for entry 7037915

Structure parameters

• Formula: C24 H20 Cu I2 N2 O5
• Calculated formula: C24 H20 Cu I2 N2 O5
• SMILES: C(=O)(c1ccc(cc1)I)O[Cu]([n]1ccccc1)([n]1ccccc1)(OC(=O)c1ccc(cc1)I)[OH2]
• 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: 15.4024 ± 0.0007 Å
• b: 5.8321 ± 0.0003 Å
• c: 15.4255 ± 0.0007 Å
• α: 90°
• β: 118.75 ± 0.004°
• γ: 90°
• Cell volume: 1214.83 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No