Information card for entry 2216870

Structure parameters

• Chemical name: Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(carbonato- κ^2^O,<i>O</i>')cobalt(III) bromide trihydrate
• Formula: C21 H22 Br Co N4 O6
• Calculated formula: C21 H22 Br Co N4 O6
• SMILES: [Co]123(OC(=O)O3)([n]3c(c4cccc[n]14)cccc3)[n]1ccccc1c1cccc[n]21.[Br-].O.O.O
• Title of publication: Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) bromide trihydrate
• Authors of publication: Ma, Peng-Tao; Wang, Yu-Xia; Zhang, Guo-Qian; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m14 - m14
• a: 9.1281 ± 0.0001 Å
• b: 9.6652 ± 0.0002 Å
• c: 13.0732 ± 0.0002 Å
• α: 92.054 ± 0.001°
• β: 102.315 ± 0.001°
• γ: 91.448 ± 0.001°
• Cell volume: 1125.48 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes