Information card for entry 7017587

Structure parameters

• Formula: C21 H17 Bi N6 O7
• Calculated formula: C21 H17 Bi N6 O7
• SMILES: [Bi]12(OC(=O)c3c[nH+]ccn3)([n]3c(cncc3)C(O1)=O)(OC(=O)c1[n]2ccnc1)c1ccccc1.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: 27.571 ± 0.002 Å
• b: 10.2872 ± 0.0008 Å
• c: 17.0803 ± 0.0013 Å
• α: 90°
• β: 109.015 ± 0.001°
• γ: 90°
• Cell volume: 4580.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No