Information card for entry 2013276

Structure parameters

• Chemical name: Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^N:N']bis[aquadinitratocadmium(II)]
• Formula: C24 H20 Cd2 N8 O14
• Calculated formula: C24 H20 Cd2 N8 O14
• SMILES: c1cccc2C#Cc3cccc[n]3[Cd]34([n]5ccccc5C#Cc5[n](cccc5)[Cd]56([n]12)(ON(=[O]5)=O)([O]=N(=O)O6)[OH2])(ON(=[O]3)=O)([O]=N(=O)O4)[OH2]
• Title of publication: Bis[μ-1,2-bis(2-pyridyl)ethyne-κ^2^<i>N</i>:<i>N</i>']bis[aquadinitratocadmium(II)]
• Authors of publication: Zaman, Md. Badruz; Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m234 - m236
• a: 19.91 ± 0.003 Å
• b: 7.8559 ± 0.0008 Å
• c: 19.263 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3012.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes