Information card for entry 7001020

Structure parameters

• Common name: bis(1,2-di(4-n-butyloxyphenyl)ethane-1,2-dithiolene)nickel
• Formula: C44 H52 Ni O4 S4
• Calculated formula: C44 H52 Ni O4 S4
• Title of publication: Amphiphilic paramagnetic neutral gold dithiolene complexes
• Authors of publication: Perochon, Romain; Piekara-Sady, Lydia; Jurga, Witold; Clérac, Rodolphe; Fourmigué, Marc
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3052 - 3061
• a: 9.2955 ± 0.0016 Å
• b: 13.891 ± 0.003 Å
• c: 18.494 ± 0.003 Å
• α: 106.023 ± 0.009°
• β: 99.822 ± 0.009°
• γ: 107.817 ± 0.008°
• Cell volume: 2098.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No