Information card for entry 2020057

Structure parameters

• Chemical name: Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(perchlorate)‒dichloromethane‒methanol (1/2/1)
• Formula: C55 H48 Cl6 Cu2 N12 O13 S4
• Calculated formula: C55 H48 Cl6 Cu2 N12 O13 S4
• Title of publication: Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands
• Authors of publication: Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 11.2499 ± 0.0011 Å
• b: 11.5798 ± 0.0011 Å
• c: 13.6976 ± 0.0015 Å
• α: 67.635 ± 0.01°
• β: 81.106 ± 0.009°
• γ: 75.524 ± 0.008°
• Cell volume: 1594.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes