Information card for entry 7230123

Structure parameters

• Formula: C62 H68 Cl2 N8 O4 Pb
• Calculated formula: C62 H68 Cl2 N8 O4 Pb
• SMILES: [Pb]1(Cl)(Cl)[n]2ccc(cc2)CN2CCCN(Cc3c(OCCOc4c(C2)cccc4)cccc3)Cc2cc[n](cc2)[Pb](Cl)(Cl)([n]2ccc(cc2)CN2CCCN(Cc3c(OCCOc4c(C2)cccc4)cccc3)Cc2cc[n]1cc2)([n]1ccc(cc1)CN1CCCN(Cc2c(OCCOc3c(C1)cccc3)cccc2)Cc1ccncc1)[n]1ccc(cc1)CN1CCCN(Cc2c(OCCOc3c(C1)cccc3)cccc2)Cc1ccncc1
• Title of publication: Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions
• Authors of publication: Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 1783
• a: 8.8819 ± 0.0005 Å
• b: 23.8685 ± 0.0011 Å
• c: 13.7122 ± 0.0007 Å
• α: 90°
• β: 91.846 ± 0.004°
• γ: 90°
• Cell volume: 2905.4 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No