Information card for entry 7044414

Structure parameters

• Formula: C68 H70 N16 O8 Zn3
• Calculated formula: C68 H70 N16 O8 Zn3
• SMILES: [Zn]1234[O]5[Zn]67([O]=C(O2)C)([O]2[Zn]89(Oc%10c(C[N]8(Cc8c2c(n2nc%11ccccc%11[n]72)cc(c8)C)CC[N]9(C)C)cc(cc%10n2nc7ccccc7n2)C)[O]=C(O6)C)[n]2n(nc6c2cccc6)c2c5c(cc(c2)C)C[N]3(Cc2cc(cc(n3nc5c(n3)cccc5)c2O1)C)CC[N]4(C)C
• Title of publication: Synthesis and characterization of trimetallic cobalt, zinc and nickel complexes containing amine-bis(benzotriazole phenolate) ligands: efficient catalysts for coupling of carbon dioxide with epoxides
• Authors of publication: Li, Chen-Yu; Su, Yu-Chia; Lin, Chia-Her; Huang, Hsi-Ya; Tsai, Chen-Yen; Lee, Ting-Yu; Ko, Bao-Tsan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.2998 ± 0.0003 Å
• b: 16.3673 ± 0.0003 Å
• c: 16.628 ± 0.0003 Å
• α: 74.594 ± 0.001°
• β: 67.298 ± 0.001°
• γ: 62.457 ± 0.001°
• Cell volume: 3386.56 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No