Information card for entry 4344694

Structure parameters

• Formula: C22 H36 N4 Ni S6
• Calculated formula: C22 H36 N4 Ni S6
• SMILES: C12=C(N(C(=S)N1CCCC)CCCC)S[Ni]1(S2)SC2=C(N(C(=S)N2CCCC)CCCC)S1
• Title of publication: High Photothermal Activity within Neutral Nickel Dithiolene Complexes Derived from Imidazolium-Based Ionic Liquids.
• Authors of publication: Mebrouk, Kenny; Camerel, Franck; Jeannin, Olivier; Heinrich, Benoit; Donnio, Bertrand; Fourmigué, Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1296 - 1303
• a: 13.0192 ± 0.001 Å
• b: 5.1084 ± 0.0003 Å
• c: 21.3364 ± 0.0016 Å
• α: 90°
• β: 96.936 ± 0.004°
• γ: 90°
• Cell volume: 1408.64 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No