Information card for entry 4328003

Structure parameters

• Formula: C28 H35 K3 O5
• Calculated formula: C28 H35 K3 O5
• Title of publication: Effects of the Alkali-Metal Cation Size on Molecular and Extended Structures: Formation of Coordination Polymers and Hybrid Materials in the Homologous Series [(4-Et-C6H4OM).(diox)n], M = Li, Na, K, Rb, Cs
• Authors of publication: Jeffrey A. Bertke; Allen G. Oliver; Kenneth W. Henderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1020 - 1027
• a: 19.2016 ± 0.0012 Å
• b: 20.4584 ± 0.0012 Å
• c: 7.2704 ± 0.0005 Å
• α: 90°
• β: 90.113 ± 0.004°
• γ: 90°
• Cell volume: 2856.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No