Information card for entry 7717420

Structure parameters

• Formula: C46 H44 B Cl2 F4 Mn N O2 P3
• Calculated formula: C46 H44 B Cl2 F4 Mn N O2 P3
• Title of publication: Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P^∩P^∩P)(CO)₂MnH] on their kinetic hydricity.
• Authors of publication: Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia A.; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; Canac, Yves; Valyaev, Dmitry A.; Belkova, Natalia V.; Shubina, Elena S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 122 - 132
• a: 9.1917 ± 0.0008 Å
• b: 14.0017 ± 0.0014 Å
• c: 17.7856 ± 0.0016 Å
• α: 80.196 ± 0.006°
• β: 76.87 ± 0.006°
• γ: 80.423 ± 0.004°
• Cell volume: 2177.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.2774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No