Information card for entry 7031784

Structure parameters

• Formula: C56 H68 Cl2 N8 O19 S5 Zn2
• Calculated formula: C50 H50 Cl N8 O16 S2 Zn2
• SMILES: Cl(=O)(=O)(=O)[O-].[Zn]12345[O]6[Zn]789([O]=C(N[N]8=Cc8c6c(cc(c8)C)C=[N]4NC(=[O]1)c1c(O)cccc1)c1c(O)cccc1)[O]=C(N[N]9=Cc1c([O]27)c(cc(c1)C)C=[N]5NC(=[O]3)c1c(O)cccc1)c1c(O)cccc1.S(=O)(C)C.S(=O)(C)C
• Title of publication: A binuclear Zn(ii)-Zn(ii) complex from a 2-hydroxybenzohydrazide-derived Schiff base for selective detection of pyrophosphate.
• Authors of publication: Wang, Junfeng; Liu, Bin; Liu, Xiumin; Panzner, Matthew J.; Wesdemiotis, Chrys; Pang, Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14142 - 14146
• a: 15.1259 ± 0.0008 Å
• b: 15.7972 ± 0.0008 Å
• c: 17.4231 ± 0.0009 Å
• α: 99.786 ± 0.002°
• β: 114.09 ± 0.002°
• γ: 101.889 ± 0.002°
• Cell volume: 3565.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No