Information card for entry 4511387

Structure parameters

• Formula: C44 H68 Cu2 N4 O20
• Calculated formula: C44 H68 Cu2 N4 O20
• SMILES: C(=O)(c1ccc2c(ccc(C(=O)O[Cu]3456[N](CCO)(CC[OH]4)CC[N]3(CC[OH]5)CC[OH]6)c2)c1)O[Cu]1234[OH]CC[N]3(CCO)CC[N]4(CC[OH]2)CC[OH]1.O=C([O-])c1cc2c(cc(C(=O)[O-])cc2)cc1.O.O.O.O
• Title of publication: Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties
• Authors of publication: Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3398
• a: 8.7497 ± 0.0001 Å
• b: 9.2024 ± 0.0002 Å
• c: 16.6861 ± 0.0002 Å
• α: 88.893 ± 0.001°
• β: 79.897 ± 0.001°
• γ: 64.008 ± 0.001°
• Cell volume: 1186.4 ± 0.03 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: 0.0618
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No