Information card for entry 2017614

Structure parameters

• Chemical name: Diaqua-dichlorido-bis(hydroxyethylammonium)cobalt(II) dichloride
• Formula: C4 H20 Cl4 Co N2 O4
• Calculated formula: C4 H20 Cl4 Co N2 O4
• SMILES: [Cl-].[Co]([OH2])([OH2])([OH]CC[NH3+])([OH]CC[NH3+])(Cl)Cl.[Cl-]
• Title of publication: Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m89 - m96
• a: 6.258 ± 0.002 Å
• b: 6.653 ± 0.003 Å
• c: 8.369 ± 0.003 Å
• α: 83.57 ± 0.03°
• β: 86.37 ± 0.05°
• γ: 86.19 ± 0.02°
• Cell volume: 344.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes