Information card for entry 7001524

Structure parameters

• Formula: C16 H20 Cu3 N6 O6
• Calculated formula: C16 H20 Cu3 N6 O6
• Title of publication: New coordination polymers based on the triangular [Cu3(μ3-OH)(μ-pz)3]2+ unit and unsaturated carboxylates
• Authors of publication: Contaldi, Simone; Di Nicola, Corrado; Garau, Federica; Karabach, Yauhen Yu.; Martins, Luísa M. D. R. S.; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pombeiro, Armando J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4928 - 4941
• a: 10.982 ± 0.002 Å
• b: 20.322 ± 0.004 Å
• c: 10.4061 ± 0.0019 Å
• α: 90°
• β: 113.891 ± 0.003°
• γ: 90°
• Cell volume: 2123.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No