Information card for entry 7220164

Structure parameters

• Formula: C26 H28 Co N2 O10
• Calculated formula: C26 H28 Co N2 O10
• SMILES: [Co]([n]1ccc(cc1)COc1ccc(cc1)C(=O)[O-])([n]1ccc(cc1)COc1ccc(cc1)C(=O)[O-])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Synthesis and crystal structure determination of a mononuclear cobalt(ii) complex derived from 4-(pyridin-4-ylmethoxy)-benzoic acid: evaluation of the DNA/protein interaction and photo-induced pBR322 DNA cleavage
• Authors of publication: Tabassum, Sartaj; Singh, Ruchi; Zaki, Mehvash; Ahmad, Musheer; Afzal, Mohd.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 35843
• a: 6.27 ± 0.004 Å
• b: 7.007 ± 0.003 Å
• c: 15.402 ± 0.005 Å
• α: 97.886 ± 0.005°
• β: 95.917 ± 0.005°
• γ: 114.306 ± 0.005°
• Cell volume: 601.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No