Information card for entry 7234893

Structure parameters

• Formula: C100 H52 Cu4 N32
• Calculated formula: C100 H52 Cu4 N32
• Title of publication: Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals
• Authors of publication: Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 159 - 163
• a: 14.234 ± 0.0013 Å
• b: 19.8446 ± 0.0019 Å
• c: 15.452 ± 0.0016 Å
• α: 90°
• β: 106.326 ± 0.003°
• γ: 90°
• Cell volume: 4188.7 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No