Information card for entry 7057774

Structure parameters

• Formula: C12 H12 Cu N2 O6
• Calculated formula: C12 H12 Cu N2 O6
• Title of publication: Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand
• Authors of publication: Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 17185
• a: 5.114 ± 0.002 Å
• b: 7.55 ± 0.003 Å
• c: 9.106 ± 0.003 Å
• α: 75.934 ± 0.015°
• β: 85.21 ± 0.02°
• γ: 72.06 ± 0.02°
• Cell volume: 324.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No