Information card for entry 7034943

Structure parameters

• Formula: C36 H44 Cu2 N6 O13
• Calculated formula: C36 H42 Cu2 N6 O13
• Title of publication: Double-step CO2 sorption and guest-induced single-crystal-to-single-crystal transformation in a flexible porous framework.
• Authors of publication: Wu, Wei-Ping; Li, Zhi-Sen; Liu, Bo; Liu, Ping; Xi, Zheng-Ping; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10141 - 10145
• a: 8.976 ± 0.004 Å
• b: 10.699 ± 0.005 Å
• c: 11.57 ± 0.006 Å
• α: 99.393 ± 0.008°
• β: 104.513 ± 0.008°
• γ: 102.434 ± 0.008°
• Cell volume: 1022.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0723
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No