Information card for entry 7017586

Structure parameters

• Formula: C34 H27 Bi N6 O12
• Calculated formula: C34 H27 Bi N6 O12
• SMILES: [Bi]1234(OC(=O)c5[n]2cccc5O)(OC(=O)c2[n]4cccc2O)(OC(=O)c2[n]3cccc2O)OC(=O)c2[n]1cccc2O.c1cccc[nH+]1.n1ccccc1
• 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: 9.9818 ± 0.0012 Å
• b: 13.8686 ± 0.0016 Å
• c: 13.9078 ± 0.0016 Å
• α: 73.185 ± 0.002°
• β: 70.121 ± 0.002°
• γ: 70.084 ± 0.002°
• Cell volume: 1669.2 ± 0.3 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: 0.0278
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No