Information card for entry 4326356

Structure parameters

• Formula: C36 H66 Li2 N4 O6 Si2
• Calculated formula: C36 H66 Li2 N4 O6 Si2
• SMILES: c1(c(cccc1)C[N]1(C)C)N([Si](C)(C)C)[Li]1([O]1CCOCC1)[O]1CC[O](CC1)[Li]1(N([Si](C)(C)C)c2c(cccc2)C[N]1(C)C)[O]1CCOCC1
• Title of publication: Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline
• Authors of publication: Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9454 - 9464
• a: 9.667 ± 0.0005 Å
• b: 14.081 ± 0.0005 Å
• c: 16.6901 ± 0.0014 Å
• α: 90°
• β: 115.567 ± 0.007°
• γ: 90°
• Cell volume: 2049.4 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1146
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No