Information card for entry 2014130

Structure parameters

• Formula: C16 H31 Cd N2 O11
• Calculated formula: C16 H31 Cd N2 O11
• Title of publication: A capped trigonal prismatic cadmium complex with tetra- and tridentate ligands: bis(triethanolamine)-κ^3^<i>N</i>,<i>O</i>,<i>O</i>';κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>''-cadmium(II) squarate monohydrate
• Authors of publication: Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Halis; Kazak, Canan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m392 - m394
• a: 9.135 ± 0.005 Å
• b: 10.972 ± 0.005 Å
• c: 11.968 ± 0.005 Å
• α: 71.537 ± 0.005°
• β: 70.118 ± 0.005°
• γ: 86.582 ± 0.005°
• Cell volume: 1068.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes