Information card for entry 4085075

Structure parameters

• Formula: C17 H15 B Cl2 Mo N6 O2 S2
• Calculated formula: C17 H15 B Cl2 Mo N6 O2 S2
• Title of publication: Thioxoethenylidene (CCS) as a Bridging Ligand
• Authors of publication: Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 328
• a: 13.5866 ± 0.0002 Å
• b: 8.3741 ± 0.0001 Å
• c: 21.0109 ± 0.0003 Å
• α: 90°
• β: 107.16 ± 0.0006°
• γ: 90°
• Cell volume: 2284.12 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No