Information card for entry 7036167

Structure parameters

• Formula: C61 H90 Mg2 N4 O5
• Calculated formula: C61 H90 Mg2 N4 O5
• SMILES: [Mg]12345[O](CC[O]2C)[Mg]267[O]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C1[N]4(CC[N]21CC[N]6=Cc1c(O7)c(cc(c1)C(C)(C)C)C(C)(C)C)CC[N]5=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C.c1ccccc1C
• Title of publication: Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.
• Authors of publication: Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16383 - 16391
• a: 16.7376 ± 0.0004 Å
• b: 20.2012 ± 0.0006 Å
• c: 17.7913 ± 0.0004 Å
• α: 90°
• β: 96.569 ± 0.002°
• γ: 90°
• Cell volume: 5976.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No