Information card for entry 2204279

Structure parameters

• Chemical name: Bis(benzyltrimethylammonium) tetrachloronickel(II) N-methylpyrrolidin-2-one solvate
• Formula: C25 H41 Cl4 N3 Ni O
• Calculated formula: C25 H41 Cl4 N3 Ni O
• Title of publication: Bis(benzyltrimethylammonium) tetrachloronickelate(II) <i>N</i>-methylpyrrolidin-2-one solvate
• Authors of publication: Kooijman, Huub; Keegstra, Menno A.; Brandsma, Lambert; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1513 - m1515
• a: 18.5787 ± 0.001 Å
• b: 9.4933 ± 0.0015 Å
• c: 17.3172 ± 0.0015 Å
• α: 90°
• β: 93.112 ± 0.006°
• γ: 90°
• Cell volume: 3049.8 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1897
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes