Information card for entry 7712447

Structure parameters

• Formula: C17 H28 N Ni O3 P
• Calculated formula: C17 H28 N Ni O3 P
• SMILES: [Ni]12([P](Oc3c2c(ccc3)C[N]1(C)C)(C(C)C)C(C)C)OC(=O)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: 7.7205 ± 0.0004 Å
• b: 9.083 ± 0.0005 Å
• c: 14.8641 ± 0.0008 Å
• α: 76.764 ± 0.001°
• β: 81.737 ± 0.001°
• γ: 66.249 ± 0.001°
• Cell volume: 927.17 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0489
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No