Information card for entry 2201355

Structure parameters

• Chemical name: 1,6-hexamethylenediammonium tetrachlorocobaltate(II)
• Formula: C6 H18 Cl4 Co N2
• Calculated formula: C6 H18 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH3+]CCCCCC[NH3+]
• Title of publication: The lamellar architecture of 1,6-hexamethylenediammonium tetrachlorocobaltate(II)
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m592 - m594
• a: 7.2803 ± 0.0001 Å
• b: 9.9479 ± 0.0001 Å
• c: 9.9572 ± 0.0001 Å
• α: 75.682 ± 0.001°
• β: 87.494 ± 0.001°
• γ: 88.79 ± 0.001°
• Cell volume: 698.03 ± 0.014 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes