Information card for entry 7059948

Structure parameters

• Formula: C16 H19 Cl2 Cu N S2
• Calculated formula: C16 H19 Cl2 Cu N S2
• Title of publication: Cu(ii) complexes with tridentate sulfur and selenium ligands: catecholase and hydrolysis activity
• Authors of publication: Durigon, Daniele Cocco; Maragno Peterle, Marcos; Bortoluzzi, Adailton João; Ribeiro, Ronny Rocha; Braga, Antonio Luiz; Peralta, Rosely Aparecida; Neves, Ademir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15698 - 15707
• a: 11.1289 ± 0.0004 Å
• b: 15.0127 ± 0.0006 Å
• c: 10.5764 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1767.05 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No