Information card for entry 7059444

Structure parameters

• Formula: C15 H15 Cl2 N3 Ni O2
• Calculated formula: C15 H15 Cl2 N3 Ni O2
• SMILES: [Ni]12(Cl)([OH2])([OH2])[n]3ccccc3c3[n]1c(c1[n]2cccc1)ccc3.[Cl-]
• Title of publication: Supramolecular and theoretical perspectives of 2,2′:6′,2′′-terpyridine based Ni(ii) and Cu(ii) complexes: on the importance of C‒H⋯Cl and π⋯π interactions
• Authors of publication: Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Frontera, Antonio; Mukhopadhyay, Subrata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 7310 - 7318
• a: 12.485 ± 0.006 Å
• b: 9.687 ± 0.004 Å
• c: 14.318 ± 0.006 Å
• α: 90°
• β: 105.29 ± 0.015°
• γ: 90°
• Cell volume: 1670.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No