Information card for entry 7701196

Structure parameters

• Formula: C40 H39 F3 Mn N2 O6 P S
• Calculated formula: C40 H39 F3 Mn N2 O6 P S
• Title of publication: Inter-ligand intramolecular through-space anisotropic shielding in a series of manganese carbonyl phosphorous compounds.
• Authors of publication: Kurtz, Daniel A.; Dhakal, Badrinath; McDonald, Lauren T.; Nichol, Gary S.; Felton, Greg A. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14926 - 14935
• a: 37.1455 ± 0.001 Å
• b: 10.5546 ± 0.0003 Å
• c: 20.3195 ± 0.0005 Å
• α: 90°
• β: 99.524 ± 0.003°
• γ: 90°
• Cell volume: 7856.6 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No