Information card for entry 2200560

Structure parameters

• Chemical name: 1,1,4,4-tetra(isopropyl)piperazinium tetrachlorocobaltate(II)
• Formula: C16 H36 Cl4 Co N2
• Calculated formula: C16 H36 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[N+]1(CC[N+](CC1)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Two-dimensional network of C‒H···Cl‒Co hydrogen bonds in the structure of 1,1,4,4-tetraisopropylpiperazinium tetrachlorocobaltate(II)
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav; Casari, Barbara M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m393 - m395
• a: 7.1245 ± 0.0003 Å
• b: 17.183 ± 0.0007 Å
• c: 17.3367 ± 0.0007 Å
• α: 90°
• β: 94.64 ± 0.001°
• γ: 90°
• Cell volume: 2115.41 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes