Information card for entry 7009372

Structure parameters

• Chemical name: cis-dicarbonyl manganese(I) 1,4,7,10-tetrathiacyclododecane . 1/2CHCl2 solvate
• Formula: C11.5 H16.5 Cl1.5 F3 Mn O5 S5
• Calculated formula: C11.5 H15.3 Cl1.5 F3 Mn O5 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: 14.0952 ± 0.0016 Å
• b: 15.267 ± 0.003 Å
• c: 9.6411 ± 0.0015 Å
• α: 90.983 ± 0.017°
• β: 90.332 ± 0.014°
• γ: 86.531 ± 0.013°
• Cell volume: 2070.6 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1631
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No