Information card for entry 2203699

Structure parameters

• Chemical name: Diaquabis(4,4'-bipyridine N,N'-dioxide-κO)bis(dicyanamido)cadmium(II)
• Formula: C24 H20 Cd N10 O6
• Calculated formula: C24 H20 Cd N10 O6
• SMILES: c1cn(ccc1c1ccn(cc1)=O)=[O][Cd](N=C=NC#N)([OH2])(N=C=NC#N)([O]=n1ccc(c2ccn(cc2)=O)cc1)[OH2]
• Title of publication: Diaquabis(4,4'-bipyridine <i>N,N</i>'-dioxide-κ<i>O</i>)bis(dicyanamido)cadmium(II)
• Authors of publication: Xu, Yanqing; Yuan, Daqiang; Xu, Ying; Bi, Wenhua; Zhou, Youfu; Hong, Maochun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m713 - m714
• a: 8.204 ± 0.0009 Å
• b: 8.85 ± 0.001 Å
• c: 9.667 ± 0.001 Å
• α: 70.868 ± 0.001°
• β: 79.068 ± 0.002°
• γ: 73.184 ± 0.002°
• Cell volume: 631.25 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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 significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes