Information card for entry 2243307

Structure parameters

• Chemical name: Bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate
• Formula: C30 H28 Cl4 Co N6 O4
• Calculated formula: C30 H28 Cl4 Co N6 O4
• SMILES: c1cccc2c3cc(Cl)cc4[n]3[Co]35([n]12)([n]1ccccc41)[n]1ccccc1c1cc(cc(c2cccc[n]32)[n]51)Cl.O.[Cl-].O.O.O.[Cl-]
• Title of publication: Crystal structure and photoluminescent properties of bis(4'-chloro-2,2':6',2''-terpyridyl)cobalt(II) dichloride tetrahydrate
• Authors of publication: Thippeswamy, B.; Suchetan, P. A.; Mahadevan, K. M.; Nagabhushana, H.; Vijayakumar, G. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 496 - 499
• a: 9.2846 ± 0.0007 Å
• b: 9.2846 ± 0.0007 Å
• c: 38.069 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3281.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes