Information card for entry 7211012

Structure parameters

• Formula: C30 H29 Cu2 N3 O10
• Calculated formula: C30 H29 Cu2 N3 O10
• Title of publication: Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability
• Authors of publication: Ju, Zhanfeng; Yuan, Daqiang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9513
• a: 15.1849 ± 0.0004 Å
• b: 17.0797 ± 0.0004 Å
• c: 18.8731 ± 0.0004 Å
• α: 90°
• β: 97.172 ± 0.002°
• γ: 90°
• Cell volume: 4856.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No