Information card for entry 4327381

Structure parameters

• Formula: C114 H142 Cu6 N28 O16 S6
• Calculated formula: C114 H142 Cu6 N28 O16 S6
• SMILES: C1(=[N](/N=C/c2c(cccc2)O)[Cu]234[S]5C(=[N](/N=C/c6c(O)cccc6)[Cu]673[S]1[Cu]134[N](/N=C/c4c(O)cccc4)=C(Nc4ccccc4)[S]2[Cu]243[N](/N=C/c3c(O)cccc3)=C(Nc3ccccc3)[S]1[Cu]134[N](=C(Nc4ccccc4)[S]2[Cu]573[N](/N=C/c2c(O)cccc2)=C(Nc2ccccc2)[S]61)/N=C/c1c(cccc1)O)Nc1ccccc1)Nc1ccccc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)
• Authors of publication: Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4121 - 4123
• a: 14.028 ± 0.0002 Å
• b: 15.2917 ± 0.0002 Å
• c: 29.57 ± 0.0003 Å
• α: 90°
• β: 90.2636 ± 0.0006°
• γ: 90°
• Cell volume: 6343.05 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No