Information card for entry 4503120

Structure parameters

• Formula: C56 H64 Br4 Cu2 N16 O12
• Calculated formula: C56 H64 Br4 Cu2 N16 O12
• Title of publication: Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks
• Authors of publication: Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 869
• a: 17.314 ± 0.003 Å
• b: 5.3628 ± 0.0011 Å
• c: 23.927 ± 0.007 Å
• α: 90°
• β: 133.577 ± 0.017°
• γ: 90°
• Cell volume: 1609.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No