Information card for entry 7712452

Structure parameters

• Formula: C19 H33 Br N Ni O P
• Calculated formula: C19 H33 Br N Ni O P
• SMILES: Br[Ni]12[P](Oc3c2c(C[N]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C
• 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: 14.8863 ± 0.0007 Å
• b: 14.2089 ± 0.0007 Å
• c: 19.652 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4156.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No