Information card for entry 1543501

Structure parameters

• Formula: C17 H22 Cd N6 O7
• Calculated formula: C17 Cd N6 O6
• SMILES: [Cd]12345([OH]Cc6[n]2c(ccc6)C[N]24CC[N]5(CC2)Cc2[n]3cccc2)(ON=O)ON(=O)=[O]1
• Title of publication: Syntheses and Structures of N,N'-Bis(6-(2-hydroxymethyl) pyridylmethyl)piperazine, Its Two Zinc(II) Complexes and the Cadmium(II) Complex of N-(6-(2-Hydroxymethyl) pyridylmethyl)-N'-(2-pyridylmethyl)piperazine
• Authors of publication: Loukiala, Satumari; Ratilainen, Jari; Airola, Karri; Valkonen, Jussi; Rissanen, Kari
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 593 - 602
• a: 13.589 ± 0.008 Å
• b: 9.006 ± 0.005 Å
• c: 17.472 ± 0.008 Å
• α: 90°
• β: 101.96 ± 0.04°
• γ: 90°
• Cell volume: 2092 ± 2 ų
• Ambient diffraction temperature: 293 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: 0.1279
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No