Information card for entry 7219979

Structure parameters

• Formula: C8 H8 Cl Cu2 N4 O3
• Calculated formula: C8 H8 Cl Cu2 N4 O3
• Title of publication: New binuclear Copper(II) Coordination Polymer based on Mixed Pyrazolic and Oxalate Ligands: Structural Characterization and Mechanical Properties
• Authors of publication: Lopez_Marzo, Adaris; Guerrero, Miguel; Font-Bardia, Merce; Calvet, Teresa; Pellicer, Eva; Baro, Dolors; Pons, Josefina; Sort, Jordi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.5078 ± 0.0007 Å
• b: 9.1266 ± 0.0006 Å
• c: 11.7875 ± 0.0008 Å
• α: 90°
• β: 99.869 ± 0.003°
• γ: 90°
• Cell volume: 1113.7 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No