Information card for entry 4334523

Structure parameters

• Formula: C16 H16 Mo2 N4 O4 S4
• Calculated formula: C16 H16 Mo2 N4 O4 S4
• SMILES: C12S[Mo]345[N]6=C(S[Mo]5([N]=2C(=O)CC1)([N]1=C(S4)CCC1=O)SC1CCC(=O)[N]3=1)CCC6=O
• 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: 10.6032 ± 0.0007 Å
• b: 12.5912 ± 0.001 Å
• c: 15.8418 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2115 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No