Information card for entry 2223895

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^1^)-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>']cadmium(II) bis(perchlorate)
• Formula: C28 H18 Cd Cl2 N10 O8
• Calculated formula: C28 H18 Cd Cl2 N10 O8
• SMILES: c1ccc2c3c4c(cc2)ccc2[n]4[Cd]45([n]13)([n]1cncn21)[n]1cncn1c1ccc2ccc3ccc[n]5c3c2[n]41.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis[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) bis(perchlorate)
• Authors of publication: Li, Hong Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1280
• a: 16.894 ± 0.003 Å
• b: 26.153 ± 0.005 Å
• c: 15.574 ± 0.003 Å
• α: 90°
• β: 118.482 ± 0.002°
• γ: 90°
• Cell volume: 6048 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes