Information card for entry 2232617

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ- (pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate]
• Formula: C5 H8 Br2 Co N2 O4
• Calculated formula: C5 H8 Br2 Co N2 O4
• SMILES: [Co]1(Br)(Br)([OH2])[O]=C(O)c2[n]1cc[n](c2)[Co]1(Br)(Br)([OH2])[O]=C(O)c2[n]1ccnc2.O.O
• Title of publication: <i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ-(pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate]
• Authors of publication: Dares, Christopher; Fournier, Rene; Lever, A. B. P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1798 - m1799
• a: 6.9367 ± 0.0003 Å
• b: 13.9983 ± 0.0003 Å
• c: 11.1446 ± 0.0005 Å
• α: 90°
• β: 106.043 ± 0.002°
• γ: 90°
• Cell volume: 1040.02 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes