Information card for entry 7018576

Structure parameters

• Formula: C28 H30 Cu2 N14 O8
• Calculated formula: C28 H30 Cu2 N14 O8
• SMILES: c1cc2c3cccc4c5n6[Cu]([n]2[nH]1)([n]34)(ON(=O)=O)[n]1n2c(c3cccc4c7cc[nH][n]7[Cu]2([n]34)([n]6cc5)ON(=O)=O)cc1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Preparation of a nitrate-coordinated copper(ii) complex of 2-(pyrazol-3-yl)-6-(pyrazolate)pyridine as an efficient catalyst for methyl methacrylate polymerization.
• Authors of publication: Miao, Li-Li; Li, Hong-Xi; Yu, Miao; Zhao, Wei; Gong, Wei-Jie; Gao, Jun; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3424 - 3430
• a: 12.497 ± 0.003 Å
• b: 7.7247 ± 0.0015 Å
• c: 17.883 ± 0.004 Å
• α: 90°
• β: 103.55 ± 0.03°
• γ: 90°
• Cell volume: 1678.3 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No