Information card for entry 7003232

Structure parameters

• Common name: Sm(O2NNMe2)(HO2NNMe2)
• Chemical name: Sm(O2NNMe2)(HO2NNMe2)
• Formula: C68 H109 N4 O4 Sm
• Calculated formula: C68 H109 N4 O4 Sm
• Title of publication: Zwitterionic bis(phenolate)amine lanthanide complexes for the ring-opening polymerisation of cyclic esters
• Authors of publication: Dyer, Hellen E.; Huijser, Saskia; Schwarz, Andrew D.; Wang, Chao; Duchateau, Robbert; Mountford, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 32
• a: 13.4576 ± 0.0002 Å
• b: 16.7022 ± 0.0002 Å
• c: 18.5409 ± 0.0002 Å
• α: 71.0528 ± 0.0005°
• β: 78.8309 ± 0.0005°
• γ: 87.3893 ± 0.0007°
• Cell volume: 3866.33 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at 223K. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No