Information card for entry 7060297

Structure parameters

• Formula: C31 H35 N5 O13 Zn
• Calculated formula: C31 H35 N5 O13 Zn
• Title of publication: Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies
• Authors of publication: Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3699 - 3715
• a: 37.6663 ± 0.0007 Å
• b: 37.6663 ± 0.0007 Å
• c: 12.7165 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15624.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No