Information card for entry 4075438

Structure parameters

• Formula: C50 H78 B N4 O Si Y
• Calculated formula: C50 H78 B N4 O Si Y
• SMILES: [Y]123([O]4CCCC4)([N]4(CC[N]1(C(C)C)CC[N]2(C(C)C)CC4)CCN3C(C)(C)C)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: 12.1829 ± 0.0006 Å
• b: 13.652 ± 0.0007 Å
• c: 14.8613 ± 0.0008 Å
• α: 86.335 ± 0.001°
• β: 88.358 ± 0.001°
• γ: 78.635 ± 0.001°
• Cell volume: 2418 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No