Information card for entry 4505749

Structure parameters

• Common name: HNMe3, Ni(mnt)2
• Chemical name: Trimethylammonium, bis(dicyanoethylene-1,2-dithiolato)nickelate ethanol solvate
• Formula: C11.8 H12 N5 Ni O0.4 S4
• Calculated formula: C11.8 H12 N5 Ni O0.4 S4
• Title of publication: Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes
• Authors of publication: Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 805
• a: 11.4302 ± 0.0015 Å
• b: 13.7495 ± 0.0014 Å
• c: 15.4235 ± 0.0017 Å
• α: 86.097 ± 0.013°
• β: 80.736 ± 0.014°
• γ: 70.242 ± 0.014°
• Cell volume: 2251.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No