Information card for entry 8101784

Structure parameters

• Chemical name: hexacarbonyl-bis(μ~2~-4-chlorophenylthiolato-S,S)diiron(I) diethyl ether hemisolvate
• Formula: C20 H13 Cl2 Fe2 O6.5 S2
• Calculated formula: C20 H13 Cl2 Fe2 O6.5 S2
• Title of publication: Crystal structure of hexacarbonyl-bis(μ~2~-4-chlorophenylthiolato- S,S)-diiron(I) diethyl ether hemisolvate, Fe~2~(CO)~6~(ClC~6~H~4~S) ~2~ · ½(C~2~H~5~)~2~O
• Authors of publication: C.-B. Ma; C.-N. Chen; Q.-T. Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 361 - 362
• a: 18.4439 ± 0.0008 Å
• b: 11.0999 ± 0.0005 Å
• c: 25.183 ± 0.001 Å
• α: 90°
• β: 97.037 ± 0.001°
• γ: 90°
• Cell volume: 5116.8 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No