Information card for entry 7039005

Structure parameters

• Formula: C52 H84 Fe La N O2 S2 Si2
• Calculated formula: C52 H84 Fe La N O2 S2 Si2
• SMILES: [La]123(N([Si](C)(C)C)[Si](C)(C)C)Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C[S]2[c]24[Fe]56789%10%11([cH]2[cH]5[cH]6[cH]47)[c]2([S]3Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)[cH]8[cH]9[cH]%10[cH]%112.CCCCCC
• Title of publication: Lanthanum complexes containing a bis(phenolate) ligand with a ferrocene-1,1'-diyldithio backbone: synthesis, characterization, and ring-opening polymerization of rac-lactide.
• Authors of publication: Hermans, Catherine; Rong, Weifeng; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8127 - 8133
• a: 10.0044 ± 0.001 Å
• b: 29.326 ± 0.003 Å
• c: 19.169 ± 0.0019 Å
• α: 90°
• β: 92.678 ± 0.002°
• γ: 90°
• Cell volume: 5617.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No