Information card for entry 7102416

Structure parameters

• Formula: C40 H34 Mo O4 P2 S4
• Calculated formula: C40 H34 Mo O4 P2 S4
• SMILES: [Mo](C#[O])(C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)C=C1SC(=C(C)S1)C)[P](c1ccccc1)(c1ccccc1)C=C1SC(=C(C)S1)C
• Title of publication: Unprecedented metal template effect on the coupling of dithiafulvene moieties.
• Authors of publication: Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 212 - 213
• a: 23.3608 ± 0.0005 Å
• b: 19.7947 ± 0.0004 Å
• c: 19.4065 ± 0.0005 Å
• α: 90°
• β: 116.326 ± 0.001°
• γ: 90°
• Cell volume: 8043.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No