Information card for entry 4318656

Structure parameters

• Formula: C22 H50 Cl Cu3 N7 O14 S
• Calculated formula: C22 H50 Cl Cu3 N7 O14 S
• Title of publication: New Oxamato-Bridged Trinuclear CuII-CuII-CuII Complexes with Hydrogen-Bond Supramolecular Structures: Synthesis and Magneto-Structural Studies
• Authors of publication: Javier Tercero; Carmen Diaz; Joan Ribas; José Mahía; Miguel Angel Maestro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5373 - 5381
• a: 6.6953 ± 0.0001 Å
• b: 18.2441 ± 0.0003 Å
• c: 31.6127 ± 0.0005 Å
• α: 90°
• β: 90.123 ± 0.001°
• γ: 90°
• Cell volume: 3861.47 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1155
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No