Information card for entry 4502032

Structure parameters

• Formula: C30 H34 Br3 N3 O8
• Calculated formula: C30 H27 Br2.5 N3 O8
• SMILES: [Br-].[Br-].[Br-].OC(=O)c1cc[n+](Cc2c(c(c(c(c2C)C[n+]2ccc(C(=O)O)cc2)C)C[n+]2ccc(C(=O)O)cc2)C)cc1.O.O
• Title of publication: Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties
• Authors of publication: Kong, Guo-Qiang; Wu, Chuan-De
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4590
• a: 11.2602 ± 0.0018 Å
• b: 13.0082 ± 0.0017 Å
• c: 13.297 ± 0.002 Å
• α: 63.005 ± 0.015°
• β: 65.037 ± 0.017°
• γ: 74.537 ± 0.013°
• Cell volume: 1566.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2488
• Residual factor for significantly intense reflections: 0.1209
• Weighted residual factors for significantly intense reflections: 0.3363
• Weighted residual factors for all reflections included in the refinement: 0.385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No