Information card for entry 7059317

Structure parameters

• Formula: C26 H24 Co N2 O7
• Calculated formula: C26 H24 Co N2 O7
• Title of publication: Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion‒π/π‒π/π‒anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies
• Authors of publication: Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Frontera, Antonio; Verma, Akalesh K.; Sharma, Pranay; Das, Amal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 4504 - 4518
• a: 13.6288 ± 0.0005 Å
• b: 14.6252 ± 0.0006 Å
• c: 13.1217 ± 0.0005 Å
• α: 90°
• β: 111.204 ± 0.002°
• γ: 90°
• Cell volume: 2438.4 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No