Information card for entry 2007293

Structure parameters

• Common name: Trimethylammoniumnickel(II)chloridedihydrate
• Chemical name: Trimethylammoniumdiaquodichloronickel(II)chloride
• Formula: C3 H14 Cl3 N Ni O2
• Calculated formula: C3 H14 Cl3 N Ni O2
• SMILES: [Ni]1([Cl][Ni](Cl)(Cl)([Cl]1)([OH2])[OH2])([OH2])[OH2].[Cl-].[Cl-].[NH+](C)(C)C.[NH+](C)(C)C
• Title of publication: Trimethylammonium Nickel(II) Chloride Dihydrate
• Authors of publication: Thiele, Gerhard; Wittenburg, Gunnar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 764 - 766
• a: 16.675 ± 0.003 Å
• b: 7.163 ± 0.001 Å
• c: 8.1 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 967.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No