Information card for entry 4502033

Structure parameters

• Formula: C60 H66 Br Cl3 Cu2 N6 O18
• Calculated formula: C60 H54 Br Cl3 Cu2 N6 O14
• 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: 11.886 ± 0.002 Å
• b: 12.224 ± 0.002 Å
• c: 13.111 ± 0.003 Å
• α: 66.65 ± 0.03°
• β: 68.48 ± 0.03°
• γ: 85.32 ± 0.03°
• Cell volume: 1622.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No