Information card for entry 7712448

Structure parameters

• Formula: C15.9 H27.72 Br0.11 N Ni O P
• Calculated formula: C15.905 H27.715 Br0.104 N Ni O P
• 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: 9.3433 ± 0.001 Å
• b: 9.4438 ± 0.001 Å
• c: 10.8402 ± 0.0011 Å
• α: 66.371 ± 0.003°
• β: 78.72 ± 0.003°
• γ: 75.511 ± 0.003°
• Cell volume: 843.52 ± 0.15 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No