Information card for entry 4108373

Structure parameters

• Formula: C26 H38 Cl2 Cu2 N6 O6
• Calculated formula: C26 H38 Cl2 Cu2 N6 O6
• SMILES: [Cu]123([O]=C4C(O3)=[O][Cu]35(Cl)([N]6(Cc7cccc8cccc(C[NH]9CC[NH]2CC[NH]1CC9)c78)CC[NH]5CC[NH]3CC6)O4)[OH2].[Cl-].O
• Title of publication: Tight Binding and Fluorescent Sensing of Oxalate in Water
• Authors of publication: Lijun Tang; Jinhee Park; Hae-Jo Kim; Youngmee Kim; Sung Jin Kim; Jik Chin; Kwan Mook Kim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12606 - 12607
• a: 15.733 ± 0.002 Å
• b: 14.3721 ± 0.0019 Å
• c: 13.6617 ± 0.0018 Å
• α: 90°
• β: 102.852 ± 0.002°
• γ: 90°
• Cell volume: 3011.7 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No