Information card for entry 7200262

Structure parameters

• Formula: C16 H49 N16 Nd O20
• Calculated formula: C16 H47 N16 Nd 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: 11.2104 ± 0.0017 Å
• b: 28.98 ± 0.004 Å
• c: 11.911 ± 0.0018 Å
• α: 90°
• β: 111.184 ± 0.002°
• γ: 90°
• Cell volume: 3608.1 ± 0.9 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: 0.0586
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No