Information card for entry 7232350

Structure parameters

• Formula: C72 H36 Cu4 N28 O4
• Calculated formula: C72 H36 Cu4 N28 O4
• Title of publication: Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene
• Authors of publication: Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 1886
• a: 10.989 ± 0.003 Å
• b: 28.1 ± 0.006 Å
• c: 11.059 ± 0.003 Å
• α: 90°
• β: 109.434 ± 0.002°
• γ: 90°
• Cell volume: 3220.4 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No