Information card for entry 4078589

Structure parameters

• Formula: C44 H67 N3 O0 P Si2 Y
• Calculated formula: C44 H67 N3 P Si2 Y
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Y]13456([N](C(C)C)=C(C[Si](C)(C)C)N1C(C)C)(C[Si](C)(C)C)[N](c1c(cccc1C(C)C)C(C)C)=P2(c1ccccc1)c1ccccc1
• Title of publication: Yttrium Hydride Complex Bearing CpPN/Amidinate Heteroleptic Ligands: Synthesis, Structure, and Reactivity
• Authors of publication: Jian, Zhongbao; Hangaly, Noa K.; Rong, Weifeng; Mou, Zehuai; Liu, Dongtao; Li, Shihui; Trifonov, Alexander A.; Sundermeyer, Jörg; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4579
• a: 12.5027 ± 0.0012 Å
• b: 19.0274 ± 0.0017 Å
• c: 20.993 ± 0.002 Å
• α: 102.59 ± 0.001°
• β: 106.981 ± 0.002°
• γ: 99.907 ± 0.002°
• Cell volume: 4510.4 ± 0.7 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 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: 0.155
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No