Information card for entry 4072328

Structure parameters

• Formula: C40 H48 B2 N3 Si2 Y
• Calculated formula: C40 H48 B2 N3 Si2 Y
• SMILES: [Y]123456789%10([B]%11(=[CH]9[CH]8=[CH]7[CH]6=[CH]5%11)N(c5ccccc5)c5ccccc5)(N([Si](C)(C)C)[Si](C)(C)C)[CH]5=[B]%10(N(c6ccccc6)c6ccccc6)[CH]4=[CH]3[CH]2=[CH]15
• Title of publication: Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement
• Authors of publication: Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6307
• a: 8.6743 ± 0.0009 Å
• b: 17.8926 ± 0.0019 Å
• c: 25.385 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3939.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No