Information card for entry 7104563

Structure parameters

• Common name: ((S)-EDT-TTF-bis(Me-Ox))Mo(CO)4
• Formula: C20 H16 Mo N2 O6 S6
• Calculated formula: C20 H16 Mo N2 O6 S6
• Title of publication: C(2)-symmetric chiral tetrathiafulvalene-bis(oxazolines) (TTF-BOX): new precursors for organic materials and electroactive metal complexes.
• Authors of publication: Riobé, François; Avarvari, Narcis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3753 - 3755
• a: 7.9794 ± 0.0009 Å
• b: 12.1549 ± 0.0009 Å
• c: 13.5558 ± 0.0015 Å
• α: 90°
• β: 93.397 ± 0.013°
• γ: 90°
• Cell volume: 1312.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No