Information card for entry 1570911

Structure parameters

• Formula: C36 H53 Cu1.5 N6 O17.5
• Calculated formula: C36 H53 Cu1.5 N6 O17.5
• Title of publication: Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.
• Authors of publication: Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2024
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 311
• a: 8.9062 ± 0.0002 Å
• b: 11.2565 ± 0.0003 Å
• c: 22.7418 ± 0.0005 Å
• α: 99.7718 ± 0.0014°
• β: 94.3827 ± 0.0015°
• γ: 105.873 ± 0.0014°
• Cell volume: 2142.95 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1158
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No