Information card for entry 4506322

Structure parameters

• Formula: C72 H102 Cu6 N18 O20
• Calculated formula: C72 H47 Cu6 N18 O23.4
• Title of publication: A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption
• Authors of publication: Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3304
• a: 12.7711 ± 0.0014 Å
• b: 14.229 ± 0.002 Å
• c: 16.003 ± 0.002 Å
• α: 106.64 ± 0.002°
• β: 103.935 ± 0.003°
• γ: 106.606 ± 0.003°
• Cell volume: 2499.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No