Information card for entry 2227794

Structure parameters

• Chemical name: Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')[2-(1<i>H</i>-1,2,4-triazol-1-yl- κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>']cadmium(II) nitrate
• Formula: C14 H13 Cd N7 O8
• Calculated formula: C14 H13 Cd N7 O8
• SMILES: c1ccc2c3c4c(cc2)ccc2[n]4[Cd]4([n]13)([n]1cncn21)([O]=N(=O)O4)([OH2])[OH2].N(=O)(=O)[O-]
• Title of publication: Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')[2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^2^)-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>']cadmium(II) nitrate
• Authors of publication: Zhang, Shi Guo; Zhang, Hui Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1392
• a: 8.9934 ± 0.0018 Å
• b: 9.1995 ± 0.0019 Å
• c: 11.46 ± 0.002 Å
• α: 88.334 ± 0.003°
• β: 72.946 ± 0.003°
• γ: 83.375 ± 0.003°
• Cell volume: 900.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes