Information card for entry 4334522

Structure parameters

• Formula: C34 H36 Cl6 Li2 Mo4 N8 O8 S8
• Calculated formula: C34 H36 Cl6 Li2 Mo4 N8 O8 S8
• SMILES: [Mo]1234([Mo]567[N]8C(=[S]1)CCC=8O[Li]1(OC8=[N]5C(=[S]2)CC8)([O](C2=[N]6C(=[S]3)CC2)[Li]235OC6=[N]8[Mo]9%10%11[Mo](Cl)([S]=C8CC6)([S]=C6[N]9=C(O2)CC6)([S]=C2[N]%10=C([O]13)CC2)[S]=C1[N]%11=C(O5)CC1)OC1=[N]7C(=[S]4)CC1)Cl.ClCCl.ClCCl
• 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: 8.704 ± 0.003 Å
• b: 22.53 ± 0.008 Å
• c: 13.543 ± 0.005 Å
• α: 90°
• β: 108.07 ± 0.02°
• γ: 90°
• Cell volume: 2524.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0504
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• 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