Information card for entry 4509938

Structure parameters

• Formula: C14 H30 N2 Ni2 O20
• Calculated formula: C14 H30 N2 Ni2 O20
• Title of publication: Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules
• Authors of publication: Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 172
• a: 7.1646 ± 0.0004 Å
• b: 11.6664 ± 0.0006 Å
• c: 16.2037 ± 0.0008 Å
• α: 109.485 ± 0.001°
• β: 96.911 ± 0.002°
• γ: 99.708 ± 0.002°
• Cell volume: 1235.61 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No