Information card for entry 7017588

Structure parameters

• Formula: C26 H19 Bi N2 O5
• Calculated formula: C26 H19 Bi N2 O5
• SMILES: c1c2c([n]3[Bi]4(OC(=O)c3cc2)(OC(=O)c2[n]4c3ccccc3cc2)c2ccccc2)ccc1.O
• Title of publication: Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.
• Authors of publication: Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1004 - 1012
• a: 10.12 ± 0.002 Å
• b: 13.74 ± 0.003 Å
• c: 16.63 ± 0.003 Å
• α: 90°
• β: 101 ± 0.03°
• γ: 90°
• Cell volume: 2269.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No