Information card for entry 1560632

Structure parameters

• Formula: C30 H38 Cu N10 O5
• Calculated formula: C30 H38 Cu N10 O5
• SMILES: c1cn(Cn2c3c(nn2)cccc3)c([n]1[Cu]12(OC(=[O]1)C)([n]1ccn(Cn3c4c(cccc4)nn3)c1CCC)OC(=[O]2)C)CCC.O
• Title of publication: Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property
• Authors of publication: Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 246
• Pages of publication: 48 - 56
• a: 9.49312 ± 0.00014 Å
• b: 12.55069 ± 0.00016 Å
• c: 13.415 ± 0.0002 Å
• α: 90°
• β: 95.5687 ± 0.0014°
• γ: 90°
• Cell volume: 1590.79 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No