Information card for entry 4334525

Structure parameters

• Formula: C26 H26 Cl Li Mo2 N6 O4 S4
• Calculated formula: C26 H26 Cl Li Mo2 N6 O4 S4
• SMILES: [Mo]1234([Mo]567N8C(=[S]1)CCC8=[O][Li]([O]=C1N5C(=[S]2)CC1)([O]=C1N6C(=[S]3)CC1)([O]=C1N7C(=[S]4)CC1)[n]1ccccc1)Cl.n1ccccc1
• Title of publication: Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes
• Authors of publication: Brian S. Dolinar; John F. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4658 - 4667
• a: 8.6895 ± 0.0003 Å
• b: 13.7221 ± 0.0005 Å
• c: 26.1281 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3115.47 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No