Information card for entry 7701438

Structure parameters

• Formula: C92 H158 N2 Ni2 O5 S4
• Calculated formula: C92 H158 N2 Ni2 O5 S4
• Title of publication: Nickel Complexes of Ligands Derived from (o-Hydroxyphenyl) Dichalcogenide: Delocalised Redox States of Nickel and o-Chalcogenophenolate Ligand
• Authors of publication: Banerjee, Sridhar; Sheet, Debobrata; Sarkar, Subhash; Halder, Partha; Paine, Tapan Kanti
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.7642 ± 0.0012 Å
• b: 17.6359 ± 0.0015 Å
• c: 24.949 ± 0.002 Å
• α: 102.301 ± 0.003°
• β: 96.756 ± 0.003°
• γ: 103.944 ± 0.003°
• Cell volume: 4829.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No