Information card for entry 4317828

Structure parameters

• Formula: C22 H28 Ca N8 O18
• Calculated formula: C22 H28 Ca N8 O18
• Title of publication: Metal Complexes of Tetrapodal Ligands: Synthesis, Spectroscopic and Thermal Studies, and X-ray Crystal Structure Studies of Na(I), Ca(II), Sr(II), and Ba(II) Complexes of Tetrapodal Ligands N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine and N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine
• Authors of publication: Geeta Hundal; Maninder Singh Hundal; Sangeeta Obrai; N. S. Poonia; Subodh Kumar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2077 - 2086
• a: 12.328 ± 0.003 Å
• b: 13.714 ± 0.003 Å
• c: 18.105 ± 0.004 Å
• α: 90°
• β: 97.81 ± 0.03°
• γ: 90°
• Cell volume: 3032.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1663
• Weighted residual factors for significantly intense reflections: 0.1362
• Goodness-of-fit parameter for all reflections: 0.89
• Goodness-of-fit parameter for significantly intense reflections: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No