Information card for entry 7201630

Structure parameters

• Formula: C32 H16 Cu Er2 N4 O26
• Calculated formula: C32 H16 Cu Er2 N4 O26
• Title of publication: Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry
• Authors of publication: Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 598
• a: 9.779 ± 0.002 Å
• b: 10.195 ± 0.002 Å
• c: 10.951 ± 0.002 Å
• α: 70.27 ± 0.03°
• β: 86.24 ± 0.03°
• γ: 71.41 ± 0.03°
• Cell volume: 973 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No