Information card for entry 7062431

Structure parameters

• Common name: {diaqua-bis(ethylenediamine)-bis(mu-pyrazole-3,5-dicarbarboxylato)tricopper(II)}
• Formula: C14 H22 Cu3 N8 O10
• Calculated formula: C14 H22 Cu3 N8 O10
• Title of publication: Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands
• Authors of publication: Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 9669 - 9680
• a: 7.1285 ± 0.0002 Å
• b: 8.7861 ± 0.0003 Å
• c: 9.739 ± 0.0004 Å
• α: 114.032 ± 0.001°
• β: 94.776 ± 0.001°
• γ: 101.957 ± 0.001°
• Cell volume: 535.33 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No