Information card for entry 4345440

Structure parameters

• Formula: C21 H41 Br Cu N3 S Si3
• Calculated formula: C21 H41 Br Cu N3 S Si3
• SMILES: Br[Cu][S]=[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Unique Approach to Copper(I) Silylene Chalcogenone Complexes.
• Authors of publication: Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1706 - 1712
• a: 19.1905 ± 0.0006 Å
• b: 9.1326 ± 0.0003 Å
• c: 18.2543 ± 0.0006 Å
• α: 90°
• β: 92.758 ± 0.002°
• γ: 90°
• Cell volume: 3195.53 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No