Information card for entry 8105956

Structure parameters

• Formula: C12 H17 N2 O5 Re S2
• Calculated formula: C12 H17 N2 O5 Re S2
• Title of publication: Crystal structure of fac-tricarbonyl-morpholine-κN-(morpholinocarbamodithioato-κ2 S,S′)rhenium(I), C12H17N2O5ReS2
• Authors of publication: Lee, See Mun; Lo, Kong Mun; Heard, Peter J.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1129 - 1132
• a: 11.99393 ± 0.00005 Å
• b: 20.48791 ± 0.00011 Å
• c: 13.67105 ± 0.00006 Å
• α: 90°
• β: 103.335 ± 0.0005°
• γ: 90°
• Cell volume: 3268.82 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No