Information card for entry 4075439

Structure parameters

• Formula: C54 H88 B N4 O2 Si2 Y
• Calculated formula: C50 H80 B N4 O Si2 Y
• SMILES: [Y]123(N(C(C)(C)C)[Si]([N]51CC[N]2(CC[N]3(CC5)C(C)C)C(C)C)(C)C)([O]1CCCC1)C[Si](C)(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes
• Authors of publication: Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3486
• a: 17.775 ± 0.002 Å
• b: 20.181 ± 0.002 Å
• c: 30.309 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10872 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1218
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No