Information card for entry 4345442

Structure parameters

• Formula: C21 H41 Br Cu N3 Se Si3
• Calculated formula: C21 H41 Br Cu N3 Se Si3
• SMILES: [Se]([Cu]Br)=[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: 18.1256 ± 0.0019 Å
• b: 15.6375 ± 0.0016 Å
• c: 19.893 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5638.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No