Information card for entry 2020054

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chloridobismuth(III)]-μ~3~-1,10-phenanthroline-2,9-dicarboxylato-κ^5^<i>O</i>^2^:<i>N</i>^1^,<i>N</i>^10^,<i>O</i>^9^:<i>O</i>^9^]
• Formula: C28 H12 Bi2 Cl2 N4 O8
• Calculated formula: C28 H12 Bi2 Cl2 N4 O8
• SMILES: [n]12[Bi]345([n]6c(ccc7c6c2c(ccc1C(=O)[O]4[Bi]124([n]6c(C(=O)[O]52)ccc2c6c5c(cc2)ccc([n]15)C(=O)O4)Cl)cc7)C(=O)O3)Cl
• Title of publication: A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties
• Authors of publication: Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 8.887 ± 0.006 Å
• b: 9.118 ± 0.005 Å
• c: 10.099 ± 0.004 Å
• α: 111.034 ± 0.013°
• β: 115.407 ± 0.009°
• γ: 92.872 ± 0.013°
• Cell volume: 669.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes