Information card for entry 2200771

Structure parameters

• Chemical name: Diaquabis(nicotinamide)bis(o-sulfobenzimidato-N)cadmium(II)
• Formula: C26 H24 Cd N6 O10 S2
• Calculated formula: C26 H24 Cd N6 O10 S2
• SMILES: c12ccccc1C(=O)N(S2(=O)=O)[Cd]([n]1cccc(c1)C(=O)N)([OH2])(N1C(=O)c2c(cccc2)S1(=O)=O)([n]1cccc(c1)C(=O)N)[OH2]
• Title of publication: Diaquabis(nicotinamide)bis(<i>o</i>-sulfobenzimidato-<i>N</i>)cadmium(II)
• Authors of publication: C̨akir, Semiha; Naumov, Panče; Bulut, İclal; Bic̨er, Ender; C̨akir, Osman; Jovanovski, Gligor; Ibrahim Abdul Razak; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m431 - m432
• a: 7.6547 ± 0.0001 Å
• b: 19.1163 ± 0.0002 Å
• c: 10.8285 ± 0.0001 Å
• α: 90°
• β: 106.041 ± 0.001°
• γ: 90°
• Cell volume: 1522.83 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No