Information card for entry 7009370

Structure parameters

• Formula: C12 H16 F3 Mn O6 S5
• Calculated formula: C12 H16 F3 Mn O6 S5
• Title of publication: Stabilisation of the [Mn(CO)2]+ fragment by thioether macrocyclic ligands; synthesis, spectroscopic and structural characterisation
• Authors of publication: Patel, Bhavesh; Reid, Gillian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1303
• a: 9.461 ± 0.0009 Å
• b: 11.593 ± 0.002 Å
• c: 9.372 ± 0.001 Å
• α: 93.56 ± 0.01°
• β: 96.581 ± 0.01°
• γ: 72.653 ± 0.009°
• Cell volume: 974.3 ± 0.2 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0395
• Goodness-of-fit parameter for significantly intense reflections: 2.543
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No