Information card for entry 7002812

Structure parameters

• Formula: C52 H98 Ca2 N6 O6 Si4
• Calculated formula: C52 H98 Ca2 N6 O6 Si4
• Title of publication: Versatile catalytic systems based on complexes of zinc, magnesium and calcium supported by a bulky bis(morpholinomethyl)phenoxy ligand for the large-scale immortal ring-opening polymerisation of cyclic esters
• Authors of publication: Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9820 - 9827
• a: 10.5186 ± 0.0006 Å
• b: 13.0169 ± 0.0008 Å
• c: 14.3156 ± 0.0008 Å
• α: 114.588 ± 0.002°
• β: 104.771 ± 0.002°
• γ: 104.561 ± 0.003°
• Cell volume: 1574.57 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No