Information card for entry 2226981

Structure parameters

• Chemical name: Bis(μ-5-carboxylatotetrazolido)bis[aqua(2,2'-bipyridyl)cadmium(II)]
• Formula: C24 H20 Cd2 N12 O6
• Calculated formula: C24 H20 Cd2 N12 O6
• SMILES: c12C(=O)O[Cd]34(n1[n](nn2)[Cd]12(n5c(C(=O)O1)nn[n]45)([n]1ccccc1c1cccc[n]21)[OH2])([n]1ccccc1c1[n]3cccc1)[OH2]
• Title of publication: Bis(μ-5-carboxylatotetrazolido)bis[aqua(2,2'-bipyridyl)cadmium(II)]
• Authors of publication: Sun, Shuang-Jiao; Deng, Ji-Hua; Liu, Ti-Lou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m981 - m982
• a: 7.5218 ± 0.0013 Å
• b: 9.6372 ± 0.0016 Å
• c: 9.7335 ± 0.0016 Å
• α: 75.628 ± 0.003°
• β: 89.686 ± 0.003°
• γ: 74.461 ± 0.002°
• Cell volume: 657.1 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes