Information card for entry 4321853

Structure parameters

• Formula: C45 H48 F20 Ga Mn O P4
• Calculated formula: C45 H42 F20 Ga Mn O P4
• SMILES: [O]#C[Mn]12([P](CC)(CC[P]1(CC)CC)CC)[P](CC)(CC)CC[P]2(CC)CC.[Ga-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(F)c(c(c1F)F)F)F)c1c(c(F)c(c(c1F)F)F)F
• 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: 17.528 ± 0.004 Å
• b: 18.192 ± 0.004 Å
• c: 8.169 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2604.8 ± 1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.1463
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No