Information card for entry 2204037

Structure parameters

• Chemical name: [2,2'-(ethylenedioxy)dibenzaldehyde bis(thiosemicarbazone)]nickel(II) diperchlorate methanol disolvate
• Formula: C20 H26 Cl2 N6 Ni O12 S2
• Calculated formula: C20 H26 Cl2 N6 Ni O12 S2
• SMILES: C1[O]2c3ccccc3C=[N]3NC(N)=[S][Ni]4523[N](=Cc2c(cccc2)[O]4C1)NC(N)=[S]5.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• Title of publication: [2,2'-(Ethylenedioxy)dibenzaldehyde bis(thiosemicarbazone)]nickel(II) diperchlorate methanol disolvate
• Authors of publication: Xiao-Hang, Qiu; Hong-Yan, Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1151 - m1152
• a: 13.586 ± 0.008 Å
• b: 13.586 ± 0.008 Å
• c: 32.6 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6017 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No