Information card for entry 1551636

Structure parameters

• Formula: C32 H48 Cu2 N2 O8
• Calculated formula: C32 H48 Cu2 N2 O8
• SMILES: [Cu]1234([O]=C(C(C)(C)C)O[Cu]4([O]=C(O1)C(C)(C)C)(OC(=[O]3)C(C)(C)C)[O]=C(O2)C(C)(C)C)[n]1ccc(cc1)CCc1cc[n]([Cu]2345[O]=C(C(C)(C)C)O[Cu]5([O]=C(O2)C(C)(C)C)(OC(=[O]4)C(C)(C)C)([O]=C(O3)C(C)(C)C)[n]2ccc(cc2)CCc2ccncc2)cc1
• Title of publication: Synthesis and Crystal Structure of a Chain Complex of Copper(II) Pivalate and 1,2-Bis(4-pyridyl)ethane in Relation to Adsorption Property for N₂
• Authors of publication: MIKURIYA, Masahiro; YANO, Mari; TAKAHASHI, Naoya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 47
• a: 21.267 ± 0.003 Å
• b: 18.25 ± 0.002 Å
• c: 10.1715 ± 0.0013 Å
• α: 90°
• β: 99.716 ± 0.003°
• γ: 90°
• Cell volume: 3891.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No