Information card for entry 4321854

Structure parameters

• Formula: C45 H48 F20 Ga Mn O P4
• Calculated formula: C45 H48 F20 Ga Mn O P4
• SMILES: [Ga](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[Mn]12([P](CC)(CC)CC[P]1(CC)CC)([P](CC)(CC)CC[P]2(CC)CC)C#[O]
• Title of publication: Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands
• Authors of publication: Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1069 - 1084
• a: 12.987 ± 0.002 Å
• b: 14.942 ± 0.002 Å
• c: 15.622 ± 0.002 Å
• α: 105.184 ± 0.006°
• β: 109.207 ± 0.008°
• γ: 103.632 ± 0.007°
• Cell volume: 2584.8 ± 0.7 ų
• Cell temperature: 197 K
• Ambient diffraction temperature: 197 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1581
• Weighted residual factors for significantly intense reflections: 0.1462
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No