Information card for entry 2023158

Structure parameters

• Chemical name: 6,6'-Dimethyl-2,2'-bipyridine-1,1'-diium tetrachloridocobaltate(II)
• Formula: C12 H14 Cl4 Co N2
• Calculated formula: C12 H14 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(C)cccc1c1[nH+]c(ccc1)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II).
• Authors of publication: Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 709 - 712
• a: 6.6419 ± 0.0016 Å
• b: 7.6512 ± 0.0019 Å
• c: 15.837 ± 0.004 Å
• α: 99.458 ± 0.006°
• β: 98.02 ± 0.006°
• γ: 97.046 ± 0.006°
• Cell volume: 777.3 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No