Information card for entry 4321855

Structure parameters

• Formula: C178 H100 Cl2 F60 Ga4 Mn2 O2 P8
• Calculated formula: C178 H96 Cl2 F60 Ga4 Mn2 O2 P8
• 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: 10.224 ± 0.004 Å
• b: 32.732 ± 0.027 Å
• c: 24.31 ± 0.009 Å
• α: 90°
• β: 97.69 ± 0.03°
• γ: 90°
• Cell volume: 8062 ± 8 ų
• Cell temperature: 138 K
• Ambient diffraction temperature: 138 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: 0.1338
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections: 0.22
• Weighted residual factors for significantly intense reflections: 0.1884
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No