Information card for entry 7205361

Structure parameters

• Formula: C64 H70 La2 N2 O20
• Calculated formula: C64 H70 La2 N2 O20
• Title of publication: Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit
• Authors of publication: Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1277
• a: 9.7792 ± 0.0013 Å
• b: 11.3331 ± 0.0014 Å
• c: 15.924 ± 0.002 Å
• α: 71.042 ± 0.002°
• β: 85.29 ± 0.002°
• γ: 70.907 ± 0.002°
• Cell volume: 1576.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No