Information card for entry 7104598

Structure parameters

• Common name: (Cu2(bza)4(pyz))n 2.0(CH3CN)
• Chemical name: [Cu2(bza)4(pyz)]n 2.0(CH3CN)
• Formula: C36 H30 Cu2 N4 O8
• Calculated formula: C36 H30 Cu2 N4 O8
• Title of publication: Guest replacement in a flexible single-crystal host by mixing the surrounding gas.
• Authors of publication: Takamizawa, Satoshi; Miyake, Ryosuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 27
• Pages of publication: 4076 - 4078
• a: 9.674 ± 0.004 Å
• b: 10.558 ± 0.004 Å
• c: 10.644 ± 0.005 Å
• α: 84.42 ± 0.01°
• β: 62.98 ± 0.007°
• γ: 63.864 ± 0.007°
• Cell volume: 862.2 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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 all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No