Information card for entry 4323801

Structure parameters

• Formula: C35 H56 Cu N S Si4 Ti
• Calculated formula: C35 H56 Cu N 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([cH]9[cH]%10[cH]%11[cH]41)[Si](C)(C)C)Sc1c(cccc1)CN(C)C
• 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: 11.277 ± 0.003 Å
• b: 12.991 ± 0.006 Å
• c: 15.39 ± 0.006 Å
• α: 65.17 ± 0.04°
• β: 78.91 ± 0.03°
• γ: 84.78 ± 0.03°
• Cell volume: 2007.9 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections: 0.2698
• Weighted residual factors for significantly intense reflections: 0.2091
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No