Information card for entry 2010596

Structure parameters

• Chemical name: (1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(2,2'-bipyridine) cobalt(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide
• Formula: C34 H26 Co N6 O7 S2
• Calculated formula: C34 H26 Co N6 O7 S2
• SMILES: [Co]12([OH2])(N3C(=O)c4ccccc4S3(=O)=O)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[N-]1C(=O)c2ccccc2S1(=O)=O
• Title of publication: Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{‒^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{‒^}
• Authors of publication: Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 142 - 145
• a: 7.6982 ± 0.0001 Å
• b: 31.3359 ± 0.0005 Å
• c: 13.2179 ± 0.0002 Å
• α: 90°
• β: 93.272 ± 0.001°
• γ: 90°
• Cell volume: 3183.36 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No