Information card for entry 4328313

Structure parameters

• Formula: C105 H106 N4 O6 P4 Y2
• Calculated formula: C98 H98 N4 O6 P4 Y2
• SMILES: C1C[N]2=P(c3ccccc3[O]3[Y]42([N]1=P(c1c(cccc1)O4)(c1ccccc1)c1ccccc1)(OC(C)(C)C)[O]1[Y]243([N](CC[N]2=P(c2c1cccc2)(c1ccccc1)c1ccccc1)=P(c1c(cccc1)O4)(c1ccccc1)c1ccccc1)OC(C)(C)C)(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Phosphasalen Yttrium Complexes: Highly Active and Stereoselective Initiators for Lactide Polymerization
• Authors of publication: Thi-Phuong-Anh Cao; Antoine Buchard; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2157 - 2169
• a: 10.53 ± 0.001 Å
• b: 14.575 ± 0.001 Å
• c: 16.43 ± 0.001 Å
• α: 65.436 ± 0.001°
• β: 87.959 ± 0.001°
• γ: 89.298 ± 0.001°
• Cell volume: 2291.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0735
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No