Information card for entry 7006561

Structure parameters

• Common name: Compound 3
• Formula: C26 H34 Cd2 N6 O4 S2
• Calculated formula: C26 H34 Cd2 N6 O4 S2
• SMILES: [Cd]1234([O]5[Cd]67([O](C)c8cccc(c58)C=[N]1CC[N]2(C)C)([O]4c1c([O]3C)cccc1C=[N]6CC[N]7(C)C)N=C=S)N=C=S
• Title of publication: Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.
• Authors of publication: Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 14
• Pages of publication: 1758 - 1767
• a: 14.59 ± 0.005 Å
• b: 15.638 ± 0.005 Å
• c: 14.792 ± 0.005 Å
• α: 90°
• β: 103.911 ± 0.005°
• γ: 90°
• Cell volume: 3275.9 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1434
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0311
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No