Information card for entry 7057780

Structure parameters

• Formula: C20 H16 Cl2 Cu2 N4 S0.55 Se3.45
• Calculated formula: C20 H16 Cl2 Cu2 N4 S0.546 Se3.454
• 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: 8.0642 ± 0.0003 Å
• b: 8.671 ± 0.0003 Å
• c: 9.5068 ± 0.0003 Å
• α: 82.409 ± 0.001°
• β: 73.892 ± 0.001°
• γ: 67.818 ± 0.001°
• Cell volume: 591.11 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No