Information card for entry 7039511

Structure parameters

• Formula: C90 H108 Bi6 N18 O66
• Calculated formula: C90 H108 Bi6 N18 O66
• SMILES: c1c(C2NO[Bi]3([O]=2)(ONC(c2c(cccc2)O)=[O]3)[O]2[Bi]3([OH]C)([O]=C(c4c(cccc4)O)N2)[O]([Bi]24(ON(=O)=O)(ONC(c5c(O)cccc5)=[O]2)ONC(=[O]4)c2c(cccc2)O)NC(c2c(cccc2)O)=[O]3)c(O)ccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.CO.O.O.OC
• Title of publication: Novel class of Bi(iii) hydroxamato complexes: synthesis, urease inhibitory activity and activity against H. pylori.
• Authors of publication: Keogan, D. M.; Twamley, B.; Fitzgerald-Hughes, D; Griffith, D. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11008 - 11014
• a: 15.0432 ± 0.0006 Å
• b: 15.2366 ± 0.0005 Å
• c: 16.5434 ± 0.0006 Å
• α: 112.566 ± 0.001°
• β: 116.585 ± 0.001°
• γ: 94.485 ± 0.001°
• Cell volume: 2984.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No