Information card for entry 4323799

Structure parameters

• Formula: C27 H44 Cu F3 O3 S Si4 Ti
• Calculated formula: C27 H44 Cu F3 O3 S Si4 Ti
• SMILES: [Cu]123([C]([Si](C)(C)C)#[C]2[Ti]456789%10%11([C]3#[C]1[Si](C)(C)C)([c]1([cH]5[cH]6[cH]7[cH]81)[Si](C)(C)C)[c]1([Si](C)(C)C)[cH]9[cH]%10[cH]%11[cH]41)OS(=O)(=O)C(F)(F)F
• Title of publication: Monomeric Bis(η2-alkyne)copper(I) and -silver(I) Halides, Pseudohalides, and Arenethiolates
• Authors of publication: Maurits D. Janssen; Mathias Herres; Laszló Zsolnai; Anthony L. Spek; David M. Grove; Heinrich Lang; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 2476 - 2483
• a: 12.8547 ± 0.0007 Å
• b: 21.3398 ± 0.0018 Å
• c: 18.2787 ± 0.001 Å
• α: 90°
• β: 133.623 ± 0.006°
• γ: 90°
• Cell volume: 3629.7 ± 0.6 ų
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for all reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Goodness-of-fit parameter for all reflections: 0
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No