Information card for entry 7125797

Structure parameters

• Formula: C34 H27 Mn O3 P2
• Calculated formula: C34 H27 Mn O3 P2
• Title of publication: Bis[diphenylphosphino]methane and its bridge-substituted analogues as chemically non-innocent ligands for H₂ activation.
• Authors of publication: Kireev, Nikolay V.; Filippov, Oleg A.; Gulyaeva, Ekaterina S.; Shubina, Elena S.; Vendier, Laure; Canac, Yves; Sortais, Jean-Baptiste; Lugan, Noël; Valyaev, Dmitry A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 2139 - 2142
• a: 12.7697 ± 0.0005 Å
• b: 16.2687 ± 0.0006 Å
• c: 13.7964 ± 0.0006 Å
• α: 90°
• β: 97.868 ± 0.002°
• γ: 90°
• Cell volume: 2839.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0249
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No