Information card for entry 7006559

Structure parameters

• Common name: Compound 1
• Formula: C42 H56 N10 O8 S4 Zn3
• Calculated formula: C42 H56 N10 O8 S4 Zn3
• SMILES: [Zn]12([N](=Cc3c(O1)c(OC)ccc3)CC[NH+](C)C)([N](=Cc1c(O2)c(OC)ccc1)CC[NH+](C)C)N=C=S.[Zn]123([N](=Cc4c5[O]2[Zn](N=C=S)(N=C=S)([O](c5ccc4)C)[O]=C(O3)C)CC[N]1(C)C)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: 10.5391 ± 0.0016 Å
• b: 14.63 ± 0.002 Å
• c: 17.946 ± 0.003 Å
• α: 101.851 ± 0.002°
• β: 94.654 ± 0.003°
• γ: 104.704 ± 0.002°
• Cell volume: 2593.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No