Information card for entry 2229295

Structure parameters

• Chemical name: Bis(μ-pyridine-2,5-dicarboxylato)-\ κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^- bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate
• Formula: C34 H30 Co2 N6 O12
• Calculated formula: C34 H30 Co2 N6 O12
• SMILES: c12c3[n](cccc3)[Co]34([n]1cccc2)([n]1c(ccc(c1)C(=O)O[Co]12([n]5ccccc5c5cccc[n]15)([n]1c(ccc(c1)C(=O)O4)C(=O)O2)[OH2])C(=O)O3)[OH2].O.O
• Title of publication: Bis(μ-pyridine-2,5-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dihydrate
• Authors of publication: Lush, Shie Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m278 - m279
• a: 7.2731 ± 0.0011 Å
• b: 9.7123 ± 0.0015 Å
• c: 12.2887 ± 0.0019 Å
• α: 98.447 ± 0.003°
• β: 103.283 ± 0.003°
• γ: 91.564 ± 0.003°
• Cell volume: 834 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes