Information card for entry 4342278

Structure parameters

• Formula: C56 H78 N6 O Si2
• Calculated formula: C56 H78 N6 O Si2
• SMILES: [Si@]12(O[Si](C)(C)[C@@H]3[C@]2(C(=C(C=C3)C(C)C)N2C(=N1)N(C=C2)c1c(cccc1C(C)C)C(C)C)C(C)C)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Si@@]12(O[Si](C)(C)[C@H]3[C@@]2(C(=C(C=C3)C(C)C)N2C(=N1)N(C=C2)c1c(cccc1C(C)C)C(C)C)C(C)C)N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.
• Authors of publication: Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 2040 - 2049
• a: 12.1444 ± 0.0002 Å
• b: 21.8298 ± 0.0003 Å
• c: 20.3141 ± 0.0003 Å
• α: 90°
• β: 94.4491 ± 0.0007°
• γ: 90°
• Cell volume: 5369.24 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No