Information card for entry 7024582

Structure parameters

• Formula: C20 H30 Cu2 N2 O8
• Calculated formula: C20 H26 Cu2 N2 O8
• SMILES: [Cu]12([O](CCc3[n]1cccc3)[Cu]1([O]2CCc2[n]1cccc2)OC(=O)CC)OC(=O)CC.O.O
• 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: 7.8291 ± 0.001 Å
• b: 10.3446 ± 0.001 Å
• c: 15.5698 ± 0.0015 Å
• α: 72.822 ± 0.009°
• β: 77.479 ± 0.01°
• γ: 78.022 ± 0.01°
• Cell volume: 1162.1 ± 0.2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No