Information card for entry 7232348

Structure parameters

• Formula: C38 H28 Cu2 N12 O4
• Calculated formula: C38 H28 Cu2 N12 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: 8.1083 ± 0.0005 Å
• b: 10.3884 ± 0.0006 Å
• c: 11.943 ± 0.0008 Å
• α: 108.394 ± 0.0019°
• β: 95.407 ± 0.002°
• γ: 108.653 ± 0.0014°
• Cell volume: 882.88 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No