Information card for entry 7040118

Structure parameters

• Formula: C22 H40 Cl2 Cu2 N6 O12
• Calculated formula: C22 H40 Cl2 Cu2 N6 O12
• SMILES: [Cu]1234[NH2]CC[N]2(Cc2c(cccc2)[O]4[Cu]245[NH2]CC[N]2(Cc2c(cccc2)[O]35)CC[NH2]4)CC[NH2]1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.
• Authors of publication: Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14184 - 14190
• a: 16.857 ± 0.002 Å
• b: 10.426 ± 0.001 Å
• c: 17.971 ± 0.002 Å
• α: 90°
• β: 95.16 ± 0.002°
• γ: 90°
• Cell volume: 3145.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No