Information card for entry 7001525

Structure parameters

• Formula: C17 H20 Cu3 N6 O5
• Calculated formula: C17 H20 Cu3 N6 O5
• 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: 10.0069 ± 0.0005 Å
• b: 11.7324 ± 0.0006 Å
• c: 17.9975 ± 0.0008 Å
• α: 90°
• β: 95.366 ± 0.001°
• γ: 90°
• Cell volume: 2103.74 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No