Information card for entry 7017444

Structure parameters

• Common name: trans-Mo2(DAniF)2(OOCC6F5)2(THF)2
• Formula: C52 H46 F10 Mo2 N4 O10
• Calculated formula: C52 H46 F10 Mo2 N4 O10
• SMILES: c1(c(F)c(c(c(c1F)F)F)C1=[O][Mo]234[N](c5ccc(OC)cc5)=CN(c5ccc(OC)cc5)[Mo]4(N(C=[N]2c2ccc(OC)cc2)c2ccc(OC)cc2)([O]=C(O3)c2c(c(c(c(c2F)F)F)F)F)O1)F.O1CCCC1.O1CCCC1
• Title of publication: Supramolecular assemblies of dimolybdenum transoids built by Mo(2)-enhanced perfluorophenyl-perfluorophenyl synthons.
• Authors of publication: Han, Li Juan; Fan, Li Yan; Meng, Miao; Wang, Xuefeng; Liu, Chun Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 48
• Pages of publication: 12832 - 12838
• a: 9.2255 ± 0.0013 Å
• b: 11.9204 ± 0.0017 Å
• c: 12.8568 ± 0.0018 Å
• α: 76.551 ± 0.002°
• β: 82.545 ± 0.002°
• γ: 72.299 ± 0.002°
• Cell volume: 1307.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No