Information card for entry 7201627

Structure parameters

• Formula: C32 H32 Cu N4 Nd2 O34
• Calculated formula: C32 H20 Cu N4 Nd2 O34
• 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: 10.546 ± 0.002 Å
• b: 10.653 ± 0.002 Å
• c: 11.422 ± 0.002 Å
• α: 82.68 ± 0.03°
• β: 74.1 ± 0.03°
• γ: 69.42 ± 0.03°
• Cell volume: 1154.7 ± 0.5 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: 0.0393
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No