Information card for entry 2017865

Structure parameters

• Chemical name: Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>- imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]
• Formula: C52 H30 N10 O8 Pb2
• Calculated formula: C52 H30 N10 O8 Pb2
• SMILES: c1cnc2c3c(c4c(c2c1)nc(c1ccncc1)[nH]4)cccn3.C(=O)(c1ccc(cc1)C(=O)[O-])[O-].[Pb+2]
• Title of publication: Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net
• Authors of publication: Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m245 - m248
• a: 10.9066 ± 0.0007 Å
• b: 15.0537 ± 0.001 Å
• c: 15.0663 ± 0.001 Å
• α: 75.89 ± 0.001°
• β: 74.199 ± 0.001°
• γ: 81.399 ± 0.001°
• Cell volume: 2299.2 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes