Information card for entry 4072326

Structure parameters

• Formula: C36 H60 B4 Cl2 N4 Y2
• Calculated formula: C36 H60 B4 Cl2 N4 Y2
• SMILES: [B]1(=[CH]2[CH]3=[CH]4[CH]5=[CH]1[Y]16789%102345([B]2(=[CH]9[CH]8=[CH]7[CH]6=[CH]12)N(CC)CC)[Cl][Y]123456789([B]%11(=[CH]9[CH]8=[CH]7[CH]6=[CH]5%11)N(CC)CC)([CH]5=[B]([CH]4=[CH]3[CH]2=[CH]15)N(CC)CC)[Cl]%10)N(CC)CC
• 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: 8.7156 ± 0.0012 Å
• b: 29.666 ± 0.005 Å
• c: 32.126 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8306 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No