Information card for entry 7238650

Structure parameters

• Formula: C13 H14 Cr O3 S2
• Calculated formula: C13 H14 Cr O3 S2
• Title of publication: Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes
• Authors of publication: Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 14
• Pages of publication: 6049
• a: 10.6871 ± 0.0012 Å
• b: 7.2672 ± 0.0008 Å
• c: 18.787 ± 0.002 Å
• α: 90°
• β: 97.4396 ± 0.0013°
• γ: 90°
• Cell volume: 1446.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.6719 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No