Information card for entry 4511283

Structure parameters

• Formula: C54 H60 Co3 N12 O21
• Calculated formula: C54 H54 Co3 N12 O18
• 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: 8.99 ± 0.002 Å
• b: 12.728 ± 0.003 Å
• c: 13.252 ± 0.003 Å
• α: 91.192 ± 0.004°
• β: 92.755 ± 0.004°
• γ: 109.691 ± 0.004°
• Cell volume: 1424.9 ± 0.6 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: 0.0945
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No