Information card for entry 2215318

Structure parameters

• Chemical name: Bis(2-phenylethylammonium) tetraaquadichloridonickel(II) dichloride dihydrate
• Formula: C16 H36 Cl4 N2 Ni O6
• Calculated formula: C16 H36 Cl4 N2 Ni O6
• SMILES: [Ni](Cl)(Cl)([OH2])([OH2])([OH2])[OH2].[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.[Cl-].[Cl-].O.O
• Title of publication: Bis(2-phenylethylammonium) tetraaquadichloridonickel(II) dichloride dihydrate
• Authors of publication: Arkenbout, Anne H.; Meetsma, Auke; Palstra, Thom T. M.
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2421 - m2421
• a: 7.6977 ± 0.001 Å
• b: 29.54 ± 0.004 Å
• c: 10.7808 ± 0.0015 Å
• α: 90°
• β: 90.76 ± 0.002°
• γ: 90°
• Cell volume: 2451.2 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes