Information card for entry 2229851

Structure parameters

• Chemical name: (Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide
• Formula: C21 H18 Br Co N6 O3
• Calculated formula: C21 H18 Br Co N6 O3
• SMILES: [Co]123([n]4c(cccc4)Nc4[n]1cccc4)([n]1c(cccc1)Nc1[n]2cccc1)OC(=O)O3.[Br-]
• Title of publication: (Carbonato-κ^2^<i>O</i>,<i>O</i>')bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bromide
• Authors of publication: Czapik, Agnieszka; Papadopoulos, Christos; Lalia-Kantouri, Maria; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m414 - m415
• a: 16.9605 ± 0.0003 Å
• b: 7.4322 ± 0.0001 Å
• c: 17.259 ± 0.0004 Å
• α: 90°
• β: 105.839 ± 0.002°
• γ: 90°
• Cell volume: 2092.96 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes