Information card for entry 4505748

Structure parameters

• Common name: (HNMe3)2, Ni(mnt)2
• Chemical name: Bis(trimethylammonium), bis(dicyanoethylene-1,2-dithiolato)nickelate
• Formula: C14 H20 N6 Ni S4
• Calculated formula: C14 H20 N6 Ni S4
• SMILES: C1(=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N)C#N.C[NH+](C)C.C[NH+](C)C
• 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: 7.4343 ± 0.0013 Å
• b: 8.6973 ± 0.0015 Å
• c: 9.772 ± 0.002 Å
• α: 64.74 ± 0.02°
• β: 70.307 ± 0.016°
• γ: 89.487 ± 0.015°
• Cell volume: 531.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No