Information card for entry 7104596

Structure parameters

• Common name: (Cu2(bza)4(pyz))n 1.6(CH3OH)
• Chemical name: [Cu2(bza)4(pyz)]n 1.6(CH3OH)
• Formula: C33.56 H30.24 Cu2 N2 O9.56
• Calculated formula: C33.558 H30.232 Cu2 N2 O9.558
• 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: 9.6996 ± 0.0016 Å
• b: 9.9844 ± 0.0016 Å
• c: 10.7765 ± 0.0017 Å
• α: 70.417 ± 0.003°
• β: 65.104 ± 0.002°
• γ: 62.126 ± 0.002°
• Cell volume: 824.3 ± 0.2 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: 0.0449
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No