Information card for entry 7717119

Structure parameters

• Formula: C25 H22 Br2 Fe N P
• Calculated formula: C25 H22 Br2 Fe N P
• Title of publication: Aminophosphine PNH complexes of Mn(I), Fe(II), and Co(II) and evaluation of their activities in the transfer hydrogenation of nitriles
• Authors of publication: Slamova, Ainur; Bizhanova, Ayazhan; Talimonyuk, Ofeliya; Gudun, Kristina; Tussupbayev, Samat; Dmitrienko, Anton; Kassymbek, Aishabibi; Lyssenko, Konstantin; Khalimon, Andrey Y.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.2487 ± 0.0002 Å
• b: 15.9203 ± 0.0002 Å
• c: 15.9733 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.94 ± 0.07 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No