Information card for entry 4086901

Structure parameters

• Formula: C16 H46 Be N4 S2 Si4
• Calculated formula: C16 H46 Be N4 S2 Si4
• SMILES: C[Si](C)(C)[N]1=S(CC)N([Be]12[N](=S(CC)N2[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands
• Authors of publication: Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 20.0458 ± 0.0016 Å
• b: 9.0862 ± 0.0007 Å
• c: 17.6799 ± 0.0014 Å
• α: 90°
• β: 116.523 ± 0.003°
• γ: 90°
• Cell volume: 2881.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No