Information card for entry 7024586

Structure parameters

• Formula: C19 H28 Cu2 N2 O8
• Calculated formula: C19 H24 Cu2 N2 O8
• SMILES: [Cu]12([O](CCc3[n]1cccc3)[Cu]1([O]2CCc2[n]1cccc2)OC(=O)CC)OC(=O)C.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: 7.8434 ± 0.0014 Å
• b: 10.2268 ± 0.0016 Å
• c: 15.6268 ± 0.0012 Å
• α: 70.921 ± 0.01°
• β: 76.83 ± 0.03°
• γ: 77.201 ± 0.014°
• Cell volume: 1138.6 ± 0.3 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: 0.1028
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No