Information card for entry 7712450

Structure parameters

• Formula: C16 H25 F3 N Ni O4 P S
• Calculated formula: C16 H25 F3 N Ni O4 P S
• SMILES: [Ni]12([P](Oc3c2c(ccc3)C[N]1(C)C)(C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides
• Authors of publication: Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2872 - 2886
• a: 7.805 ± 0.0002 Å
• b: 9.9384 ± 0.0003 Å
• c: 26.7534 ± 0.0008 Å
• α: 90°
• β: 96.542 ± 0.001°
• γ: 90°
• Cell volume: 2061.73 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No