Information card for entry 7019989

Structure parameters

• Formula: C46 H37 Ce2 Cl N2 O12
• Calculated formula: C46 H37 Ce2 Cl N2 O12
• Title of publication: Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid.
• Authors of publication: Tan, Bin; Xie, Zai-Lai; Feng, Mei-Ling; Hu, Bing; Wu, Zhao-Feng; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10576 - 10584
• a: 18.0206 ± 0.0003 Å
• b: 14.8154 ± 0.0002 Å
• c: 16.1806 ± 0.0003 Å
• α: 90°
• β: 96.0266 ± 0.0014°
• γ: 90°
• Cell volume: 4296.06 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No