Information card for entry 7024579

Structure parameters

• Formula: C18 H22 Cu2 N2 O6
• Calculated formula: C18 H22 Cu2 N2 O6
• SMILES: c1cccc2CC[O]3[Cu]4([O]=C(C)O4)([n]12)[O]1CCc2cccc[n]2[Cu]231[O]=C(C)O2
• Title of publication: Single-crystal to single-crystal transformations in discrete hydrated dimeric copper complexes.
• Authors of publication: Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1447 - 1449
• a: 7.702 ± 0.003 Å
• b: 7.894 ± 0.003 Å
• c: 8.698 ± 0.004 Å
• α: 100.46 ± 0.04°
• β: 106.16 ± 0.04°
• γ: 93.14 ± 0.04°
• Cell volume: 496.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0749
• 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