Information card for entry 4078592

Structure parameters

• Formula: C47 H71 N5 P Si Y
• Calculated formula: C47 H71 N5 P Si Y
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Y]173456([N](c3c(cccc3C(C)C)C(C)C)=P2(c2ccccc2)c2ccccc2)([N](=C(C[Si](C)(C)C)N1C(C)C)C(C)C)[N](=CN7C(C)C)C(C)C
• 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: 12.1425 ± 0.0005 Å
• b: 24.8422 ± 0.001 Å
• c: 15.711 ± 0.0006 Å
• α: 90°
• β: 96.511 ± 0.001°
• γ: 90°
• Cell volume: 4708.6 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No