Information card for entry 7012780

Structure parameters

• Formula: C22 H24 Cu N14 O6
• Calculated formula: C22 H24 Cu N14 O6
• SMILES: CC(=O)O[Cu]([n]1cnn(c1)c1cccc(n1)n1ncnc1)([n]1cnn(c1)c1cccc(n1)n1ncnc1)OC(=O)C.O.O
• Title of publication: Synthesis, structure and heterogeneous catalytic activity of a coordination polymer containing tetranuclear Cu(ii)-btp units connected by nitrates
• Authors of publication: Yoo, Sang-Kun; Ryu, Ji Young; Lee, Jun Yong; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1454
• a: 6.867 ± 0.003 Å
• b: 9.304 ± 0.002 Å
• c: 10.935 ± 0.004 Å
• α: 93.4 ± 0.02°
• β: 102.42 ± 0.03°
• γ: 97.11 ± 0.02°
• Cell volume: 674.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No