Information card for entry 7040830

Structure parameters

• Common name: Mn(tpa)(CO)3(PF6)
• Chemical name: tris(2-pyridylmethyl)amine-tris(carbonyl)manganese(hexafluorophosphate)
• Formula: C21 H18 F5.97 Mn N4 O3 P0.99
• Calculated formula: C21 H18 F5.97 Mn N4 O3 P0.995
• Title of publication: Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds.
• Authors of publication: Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17464 - 17473
• a: 10.9782 ± 0.0007 Å
• b: 13.3015 ± 0.0009 Å
• c: 15.8036 ± 0.0011 Å
• α: 90°
• β: 100.432 ± 0.003°
• γ: 90°
• Cell volume: 2269.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 7
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No