Information card for entry 7112128

Structure parameters

• Chemical name: tetrakis(salicylato)dioxotetrabismuthnitromethane solvate
• Formula: C58 H46 Bi4 N2 O30
• Calculated formula: C58 H46 Bi4 N2 O30
• SMILES: [Bi]1234([O]5[Bi]6([O]=C(c7ccccc7O)O1)([O]=C(c1ccccc1O)O2)OC(=[O][Bi]127([O]6[Bi]5(OC(=[O]1)c1ccccc1O)([O]=C(c1ccccc1O)O2)OC(=[O]4)c1c(cccc1)O)[O]=C(c1ccccc1O)O7)c1c(cccc1)O)[O]=C(c1ccccc1O)O3.O=N(=O)C.CN(=O)=O
• Title of publication: Synthesis and structural studies of the simplest bismuth(III) oxo-salicylate complex: [Bi4(mu3-O)2(HO-2-C6H4CO2)8].2Solv (Solv = MeCN or MeNO2)
• Authors of publication: Tyler D. Boyd; Ish Kumar; Eric E. Wagner; Kenton H. Whitmire
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3556
• a: 10.9483 ± 0.0011 Å
• b: 11.5086 ± 0.0011 Å
• c: 13.9101 ± 0.0014 Å
• α: 68.724 ± 0.001°
• β: 68.396 ± 0.001°
• γ: 76.558 ± 0.002°
• Cell volume: 1508.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No