Information card for entry 7018029

Structure parameters

• Formula: C6 H8 Ni0.5 O S4
• Calculated formula: C6 H8 Ni0.5 O S4
• Title of publication: Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.
• Authors of publication: Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1441 - 1443
• a: 7.6821 ± 0.0006 Å
• b: 8.1203 ± 0.0007 Å
• c: 8.7853 ± 0.0006 Å
• α: 97.483 ± 0.003°
• β: 114.055 ± 0.003°
• γ: 99.403 ± 0.003°
• Cell volume: 481.79 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No