Information card for entry 7054425

Structure parameters

• Formula: C30 H38 N3 Ni S8
• Calculated formula: C30 H38 N3 Ni S8
• Title of publication: The near infra red (NIR) chiroptical properties of nickel dithiolene complexes
• Authors of publication: Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 122
• a: 16.624 ± 0.004 Å
• b: 7.8685 ± 0.0014 Å
• c: 28.101 ± 0.005 Å
• α: 90°
• β: 102.325 ± 0.007°
• γ: 90°
• Cell volume: 3591.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No