Information card for entry 7712449

Structure parameters

• Formula: C21 H30 N Ni O P S
• Calculated formula: C21 H30 N Ni O P S
• SMILES: [P]1(Oc2c3c(C[N](C)(C)[Ni]13Sc1ccccc1)ccc2)(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: 9.1019 ± 0.0004 Å
• b: 9.5253 ± 0.0004 Å
• c: 13.2196 ± 0.0005 Å
• α: 109.051 ± 0.001°
• β: 94.18 ± 0.001°
• γ: 102.817 ± 0.001°
• Cell volume: 1043.14 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.034
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No