Information card for entry 7701437

Structure parameters

• Formula: C44 H76 N Ni O2 Se2
• Calculated formula: C44 H76 N Ni O2 Se2
• 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: 12.2167 ± 0.0009 Å
• b: 17.5848 ± 0.0013 Å
• c: 22.4459 ± 0.0017 Å
• α: 102.464 ± 0.003°
• β: 92.731 ± 0.003°
• γ: 101.164 ± 0.003°
• Cell volume: 4599.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1008
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No