Information card for entry 7011697

Structure parameters

• Formula: C28 H80 Cl6 Cu4 N12 O22
• Calculated formula: C28 H80 Cl6 Cu4 N12 O22
• Title of publication: Solvent controlled nuclearity in Cu(ii) complexes linked by the CO32− ligand: synthesis, structure and magnetic properties
• Authors of publication: Rodríguez, Montserrat; Llobet, Antoni; Corbella, Montserrat; Müller, Peter; Usón, Miguel Angel; Martell, Arthur E.; Reibenspies, Joseph
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2900
• a: 12.798 ± 0.003 Å
• b: 17.105 ± 0.003 Å
• c: 25.802 ± 0.005 Å
• α: 90°
• β: 96.02 ± 0.03°
• γ: 90°
• Cell volume: 5617 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No