Information card for entry 4001995

Structure parameters

• Formula: C144 H163 Cu4 N44 O47 P9
• Calculated formula: C144 H135 Cu4 N41 O28 P9
• Title of publication: Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties
• Authors of publication: Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 3811
• a: 20.8422 ± 0.0011 Å
• b: 23.7059 ± 0.0012 Å
• c: 38.839 ± 0.002 Å
• α: 90°
• β: 103.819 ± 0.003°
• γ: 90°
• Cell volume: 18634.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1994
• Residual factor for significantly intense reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.4063
• Weighted residual factors for all reflections included in the refinement: 0.4299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No