Information card for entry 7717423

Structure parameters

• Formula: C36 H34 Mn O2 P3
• Calculated formula: C36 H34 Mn 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: 8.5939 ± 0.0003 Å
• b: 30.4974 ± 0.0011 Å
• c: 12.3138 ± 0.0005 Å
• α: 90°
• β: 100.79 ± 0.001°
• γ: 90°
• Cell volume: 3170.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No