Information card for entry 7024581

Structure parameters

• Formula: C19 H24 Cu2 N2 O6
• Calculated formula: C19 H24 Cu2 N2 O6
• SMILES: [Cu]12([O](CCc3[n]1cccc3)[Cu]1([O]2CCc2[n]1cccc2)OC(=O)CC)OC(=O)C
• 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: 7.855 ± 0.002 Å
• b: 10.137 ± 0.003 Å
• c: 13.539 ± 0.004 Å
• α: 75.74 ± 0.03°
• β: 85.36 ± 0.03°
• γ: 77.02 ± 0.03°
• Cell volume: 1017.8 ± 0.5 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: 0.1126
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No