Information card for entry 7034944

Structure parameters

• Formula: C30 H32 Cu2 N4 O12
• Calculated formula: C30 H32 Cu2 N4 O12
• 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: 10.665 ± 0.015 Å
• b: 12.107 ± 0.016 Å
• c: 16.77 ± 0.02 Å
• α: 80.14 ± 0.02°
• β: 88.09 ± 0.02°
• γ: 69.37 ± 0.02°
• Cell volume: 1996 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1797
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No