Information card for entry 7029729

Structure parameters

• Formula: C49 H71 N P Si2 Y
• Calculated formula: C49 H71 N P Si2 Y
• SMILES: C1C2CC3CC1CC(C2)(C3)[N]1=P(c2ccccc2)(c2ccccc2)[c]23[cH]4[c]56[c]7([cH]2[Y]13457(C[Si](C)(C)C)C[Si](C)(C)C)C(CC6(C)C)(C)C.Cc1ccccc1
• Title of publication: Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.
• Authors of publication: Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7109 - 7120
• a: 10.71 ± 0.0003 Å
• b: 12.8173 ± 0.0003 Å
• c: 17.5301 ± 0.0005 Å
• α: 94.506 ± 0.002°
• β: 104.052 ± 0.002°
• γ: 91.999 ± 0.002°
• Cell volume: 2323.56 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No