Information card for entry 7012611

Structure parameters

• Formula: C12 H22 Co N2 O12
• Calculated formula: C12 H22 Co N2 O12
• SMILES: c12c3cc(cc[n]3[Co]([n]2ccc(c1)C(=O)[O-])([OH2])([OH2])([OH2])[OH2])C(=O)[O-].O.O.O.O
• Title of publication: Coordination and hydrogen bonded networks featuring 4,4'-dicarboxy-2,2'-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n
• Authors of publication: Tynan, Eithne; Jensen, Paul; Kruger, Paul E.; Lees, Anthea C.; Nieuwenhuyzen, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1223
• a: 6.378 ± 0.001 Å
• b: 12.938 ± 0.002 Å
• c: 21.558 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No