Information card for entry 1564542

Structure parameters

• Formula: C48 H66 Cu2 N2 O24
• Calculated formula: C48 H66 Cu2 N2 O24
• SMILES: C1(c2cc(c(cc2OC)OC)OC)=[O][Cu]234(OC(=[O][Cu]4(O1)(OC(c1cc(c(cc1OC)OC)OC)=[O]2)([O]=C(O3)c1c(OC)cc(OC)c(c1)OC)[OH]C)c1c(OC)cc(c(c1)OC)OC)[OH]C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Preparation and Crystal Structure of Tetrakis(μ-2,4,5-trimethoxybenzoato-κ<i>O</i>:κ<i>O</i>′)bis[(methanol)copper(II)]-<i>N,N</i>-dimethylformamide (1/2) in Relation to Adsorption Property for N₂
• Authors of publication: MIKURIYA, Masahiro; YAMAKAWA, Chihiro; TANABE, Kensuke; NUKITA, Raigo; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; TANAKA, Hidekazu; HANDA, Makoto; TSUBOI, Motohiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2021
• Journal volume: 37
• Journal issue: 0
• Pages of publication: 35 - 37
• a: 11.2532 ± 0.0013 Å
• b: 11.6634 ± 0.0013 Å
• c: 12.3118 ± 0.0014 Å
• α: 65.354 ± 0.002°
• β: 65.025 ± 0.002°
• γ: 72.661 ± 0.002°
• Cell volume: 1316.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No