Information card for entry 7114413

Structure parameters

• Formula: C76 H62 Bi2 N4 O18
• Calculated formula: C76 H62 Bi2 N4 O18
• SMILES: c1cccc2c3cccc[n]3[Bi]([n]12)(OC(=O)c1ccccc1O)(OC(c1c(O)cccc1)=O)OC(=O)c1c(cccc1)O.c1(ccccc1)C
• Title of publication: Towards a molecular model for bismuth(iii) subsalicylate. Synthesis and solid-state structure of [Bi(Hsal)3(bipy)(C7H8]2 and [Bi(Hsal)(sal)(1,10-phenanthroline)(C7H8]2
• Authors of publication: Thurston, John H.; Marlier, Elodie M.; Whitmire, Kenton H.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2834
• a: 10.83 ± 0.002 Å
• b: 12.489 ± 0.003 Å
• c: 14.319 ± 0.003 Å
• α: 87.22 ± 0.03°
• β: 81.65 ± 0.03°
• γ: 64.33 ± 0.03°
• Cell volume: 1726.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No