Information card for entry 7204587

Structure parameters

• Formula: C24 H28 Cu2 N6 O18 P2
• Calculated formula: C24 H28 Cu2 N6 O18 P2
• SMILES: N(=O)(=O)[O-].P1(O)(O)=[O][Cu]2([n]3cccc4ccc5ccc[n]2c5c34)([OH2])OP(O)(O)=[O][Cu]2([n]3cccc4c3c3[n]2cccc3cc4)([OH2])O1.O.N(=O)(=O)[O-].O
• Title of publication: Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds
• Authors of publication: Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine
• Journal of publication: J. Mater. Chem.
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2381 - 2387
• a: 7.1367 ± 0.0006 Å
• b: 10.6154 ± 0.0009 Å
• c: 11.0626 ± 0.0009 Å
• α: 85.541 ± 0.001°
• β: 83.15 ± 0.001°
• γ: 70.652 ± 0.001°
• Cell volume: 784.46 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No