Information card for entry 2020901

Structure parameters

• Chemical name: Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate
• Formula: C26 H24 Cu N8 O9 S2
• Calculated formula: C26 H24 Cu N8 O9 S2
• Title of publication: Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole
• Authors of publication: Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 905 - 910
• a: 18.1534 ± 0.0004 Å
• b: 7.1814 ± 0.0001 Å
• c: 21.8523 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2848.82 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes