Information card for entry 7109376

Structure parameters

• Formula: C72 H98 Cu2 N4 O2 S2 Si2
• Calculated formula: C72 H98 Cu2 N4 O2 S2 Si2
• SMILES: C1(=CC(=[N]([Si]2(N1c1c(cccc1C(C)C)C(C)C)O[Cu]1S[Si]3(N(C(=CC(C)=[N]3c3c(cccc3C(C)C)C(C)C)C)c3c(cccc3C(C)C)C(C)C)O[Cu]1S2)c1c(cccc1C(C)C)C(C)C)C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: From elusive thio- and selenosilanoic acids to copper(I) complexes with intermolecular Si[double bond,length as m-dash]E > Cu-O-Si coordination modes(E=S,Se)
• Authors of publication: Gengwen Tan; Yun Xiong; Shigeyoshi Inoue; Stephan Enthaler; Burgert Blom; Jan D. Epping; Matthias Driess
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5595
• a: 25.8234 ± 0.0012 Å
• b: 16.4939 ± 0.0005 Å
• c: 18.2042 ± 0.0008 Å
• α: 90°
• β: 116.278 ± 0.006°
• γ: 90°
• Cell volume: 6952.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No