Information card for entry 1565725

Structure parameters

• Formula: C7 H15 Co N O10
• Calculated formula: C7 H15 Co N O10
• SMILES: [Co]1(OC(=O)c2[n]1cc(cc2)C(=O)[O-])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies
• Authors of publication: Mohd. Nashre-ul-Islam, Swah; Dutta, Debajit; Sharma, Pranay; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119108
• a: 7.0788 ± 0.0002 Å
• b: 8.364 ± 0.0002 Å
• c: 11.4416 ± 0.0004 Å
• α: 107.115 ± 0.002°
• β: 99.326 ± 0.002°
• γ: 102.718 ± 0.001°
• Cell volume: 612.56 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No