Information card for entry 7714501

Structure parameters

• Formula: C76 H66 N6 Ni2 O7
• Calculated formula: C76 H66 N6 Ni2 O7
• SMILES: [Ni]123([O]4[Ni]567([O]1c1c(C[N]3(CC[N]2(Cc2c4c(cc(c2)C)c2[n]6c(c3ccccc3)c(n2c2ccccc2)c2ccccc2)C)C)cc(cc1c1[n]7c(c(n1c1ccccc1)c1ccccc1)c1ccccc1)C)[O]=C(O5)c1ccccc1)(OC(=O)c1ccccc1)[OH2]
• Title of publication: Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.
• Authors of publication: Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 299 - 314
• a: 14.4235 ± 0.0018 Å
• b: 16.341 ± 0.002 Å
• c: 17.149 ± 0.002 Å
• α: 78.062 ± 0.004°
• β: 78.226 ± 0.004°
• γ: 73.085 ± 0.005°
• Cell volume: 3738.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0536
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No