Information card for entry 4327380

Structure parameters

• Formula: C66 H98 Cu6 N32 O8 S6
• Calculated formula: C66 H98 Cu6 N32 O8 S6
• SMILES: C1(=[N](/N=C/c2ncccc2)[Cu]23[S]4C(=[N](/N=C/c5ncccc5)[Cu]56[S]1[Cu]173[N](=C([S]2[Cu]27[N](=C(N)[S]1[Cu]13[N](=C(N)[S]2[Cu]463[N](=C([S]51)N)/N=C/c1ccccn1)/N=C/c1ccccn1)/N=C/c1ncccc1)N)/N=C/c1ccccn1)N)N.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: 11.8041 ± 0.0002 Å
• b: 23.7157 ± 0.0003 Å
• c: 15.9856 ± 0.0002 Å
• α: 90°
• β: 98.3719 ± 0.0006°
• γ: 90°
• Cell volume: 4427.36 ± 0.11 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0407
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No