Information card for entry 1562794

Structure parameters

• Formula: C20 H27 Cu4 N11 O18
• Calculated formula: C20 H27 Cu4 N11 O18
• SMILES: [Cu]123Nc4c(N(=O)=O)cc(N(=O)=O)c5N[Cu]67([O](C)[Cu]8(Nc9c(cc(c%10N[Cu]([O]8=n9%10)([O]=C(O3)C)O1)N(=O)=O)N(=O)=O)([O]=C(C)O7)[O]6C)[O]2=n45.O=C(N(C)C)C
• Title of publication: Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO
• Authors of publication: Liu, Jin-jian; Liu, Zu-liang; Cheng, Jian
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 197
• Pages of publication: 198 - 203
• a: 8.671 ± 0.0017 Å
• b: 11.226 ± 0.002 Å
• c: 18.741 ± 0.004 Å
• α: 98.26 ± 0.03°
• β: 102.6 ± 0.03°
• γ: 109.17 ± 0.03°
• Cell volume: 1635.1 ± 0.8 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: 0.1609
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No