Information card for entry 7017796

Structure parameters

• Formula: C52 H76 N10 O2 Zn
• Calculated formula: C52 H76 N10 O2 Zn
• SMILES: O1c2c(cc(cc2C[N]2([Zn]341([N](CC2)(C)C)Oc1c(cc(cc1C[N]3(C)CC[N]4(C)C)C(C)(C)CC(C)(C)C)n1nc2ccccc2n1)C)C(C)(C)CC(C)(C)C)n1nc2ccccc2n1
• Title of publication: Zinc and magnesium complexes incorporated by bis(amine) benzotriazole phenoxide ligand: synthesis, characterization, photoluminescent properties and catalysis for ring-opening polymerization of lactide.
• Authors of publication: Sung, Chang-Yu; Li, Chen-Yu; Su, Jing-Kai; Chen, Ting-Yi; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 953 - 961
• a: 23.1996 ± 0.0004 Å
• b: 8.3354 ± 0.0002 Å
• c: 27.7046 ± 0.0005 Å
• α: 90°
• β: 105.727 ± 0.001°
• γ: 90°
• Cell volume: 5156.9 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No