Information card for entry 7227204

Structure parameters

• Formula: C36 H124 Mo24 N24 O116 Sb4
• Calculated formula: C36 H12 Mo24 O108 Sb4
• SMILES: C12c3cc4C5=[O][Mo]67(O[Mo]8(O[Mo]9%10(O[Mo]%11%12(O[Mo]%13%14(O[Mo](O6)([O]%13[Sb]([O]78)[O]9%11)(=O)(=O)[O]=C(c6cc7cc(C8=[O][Mo]9%11(O[Mo]%13([O]%11[Sb]%11[O]%15[Mo](O[Mo]%15(O9)(=O)(=O)[O]=2)(=O)(=O)(O[Mo]29(O[Mo](=O)(=O)(O%13)([O]%112)[O]=C(c2cc%11C%13=[O][Mo]%15%16(O[Mo]%17(O[Mo]%18%19(O[Mo]%20(O[Mo]%21%22(O[Mo](O%15)([O]%21[Sb]([O]%16%17)[O]%18%20)(=O)(=O)[O]=C(c(c3)c4)O%22)(=O)=O)(=O)(=O)[O]=C(c3cc(C4=[O][Mo]%15%16(O[Mo]%17(O[Mo]%18%20(O[Mo]%21(O[Mo]%22%23(O[Mo](O%15)([O]%22[Sb]([O]%16%17)[O]%18%21)(=O)(=O)[O]=C7O%23)(=O)=O)(=O)(=O)[O]=C(c(c2)c%11)O%20)(=O)=O)(=O)(=O)O4)(=O)=O)cc(C(=[O]%10)O%12)c3)O%19)(=O)=O)(=O)(=O)O%13)(=O)=O)O9)(=O)=O)O1)(=O)(=O)O8)(=O)=O)c6)O%14)(=O)=O)(=O)=O)(=O)=O)(=O)(=O)O5)(=O)=O
• Title of publication: Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties
• Authors of publication: Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 207
• a: 36.2075 ± 0.0012 Å
• b: 36.2075 ± 0.0012 Å
• c: 36.2075 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47467 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No