Information card for entry 4511284

Structure parameters

• Formula: C54 H58 Cu3 N12 O21
• Calculated formula: C54 H46 Cu3 N12 O16
• Title of publication: Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture
• Authors of publication: Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3300
• a: 8.7506 ± 0.0015 Å
• b: 10.73 ± 0.0018 Å
• c: 18.933 ± 0.003 Å
• α: 92.997 ± 0.003°
• β: 103.096 ± 0.003°
• γ: 102.456 ± 0.003°
• Cell volume: 1681.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No