Information card for entry 1560294

Structure parameters

• Formula: C67 H88 N12 Ni2 O16
• Calculated formula: C67 H88 N12 Ni2 O16
• SMILES: [Ni]123([O]4[Ni]56([n]7n(nc8c7cccc8)c7c4c(cc(c7)C(C)(C)CC(C)(C)C)C=[N]2CCC[N]3=Cc2c([O]15)c(n1[n]6c3ccccc3n1)cc(c2)C(C)(C)CC(C)(C)C)([OH2])[OH2])(Oc1c(N(=O)=O)cc(N(=O)=O)cc1)[OH2].[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1.O1CCCC1.CCCCCC
• Title of publication: Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications
• Authors of publication: Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 1244 - 1259
• a: 14.843 ± 0.002 Å
• b: 16.799 ± 0.003 Å
• c: 17.052 ± 0.003 Å
• α: 111.232 ± 0.005°
• β: 106.501 ± 0.005°
• γ: 104.907 ± 0.005°
• Cell volume: 3477.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1295
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.278
• Weighted residual factors for all reflections included in the refinement: 0.3111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No