Information card for entry 4078590

Structure parameters

• Formula: C80 H114 N6 P2 Si2 Y2
• Calculated formula: C80 H114 N6 P2 Si2 Y2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Y]173456([N](C(C)C)=C(C[Si](C)(C)C)N1C(C)C)([N](c1c(cccc1C(C)C)C(C)C)=P2(c1ccccc1)c1ccccc1)[H][Y]12345([c]6([cH]1[cH]2[cH]3[cH]46)P(c1ccccc1)(c1ccccc1)=Nc1c(cccc1C(C)C)C(C)C)([N](C(C)C)=C(C[Si](C)(C)C)N5C(C)C)[H]7
• 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: 17.814 ± 0.002 Å
• b: 19.028 ± 0.003 Å
• c: 19.232 ± 0.004 Å
• α: 109.194 ± 0.003°
• β: 111.367 ± 0.003°
• γ: 105.884 ± 0.002°
• Cell volume: 5127.6 ± 1.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No