Information card for entry 4322030

Structure parameters

• Formula: C8 H2 F6 N4 Ni S2
• Calculated formula: C8 H2 F6 N4 Ni S2
• SMILES: [Ni]12(SC(=C(S1)C(F)(F)F)C(F)(F)F)[NH]=C(C(=[NH]2)C#N)C#N
• Title of publication: Structural Effects on Molecular Dipoles and Solvatochromism of Nickel(diimine)(dithiolate) Complexes
• Authors of publication: Chin-Ti Chen; Sish-Yuan Liao; Kuan-Jiuh Lin; Chiung-Hsueh Chen; Tzu-Yao Jeremy Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2734 - 2741
• a: 7.935 ± 0.009 Å
• b: 11.528 ± 0.002 Å
• c: 14.45 ± 0.003 Å
• α: 90°
• β: 91.51 ± 0.05°
• γ: 90°
• Cell volume: 1321.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0821
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.0991
• Goodness-of-fit parameter for all reflections: 0.911
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No