Information card for entry 7200261

Structure parameters

• Formula: C16 H49 Ce N16 O20
• Calculated formula: C16 H47 Ce N16 O20
• Title of publication: Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network
• Authors of publication: Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 82 - 86
• a: 11.2155 ± 0.0005 Å
• b: 28.9919 ± 0.0013 Å
• c: 11.9052 ± 0.0005 Å
• α: 90°
• β: 111.216 ± 0.001°
• γ: 90°
• Cell volume: 3608.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No