Information card for entry 2014018

Structure parameters

• Common name: Glycine nickel dichloride dihydrate
• Formula: C2 H9 Cl2 N Ni O4
• Calculated formula: C2 H9 Cl2 N Ni O4
• SMILES: [Ni](Cl)(Cl)(OC(=O)C[NH3+])([OH2])([OH2])[O]=C(O[Ni](Cl)(Cl)([OH2])[OH2])C[NH3+]
• Title of publication: Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate
• Authors of publication: Michel Fleck; Ladislav Bohatý
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m291 - m295
• a: 8.203 ± 0.002 Å
• b: 5.475 ± 0.001 Å
• c: 8.311 ± 0.002 Å
• α: 90°
• β: 90.97 ± 0.03°
• γ: 90°
• Cell volume: 373.21 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes