Information card for entry 2240240

Structure parameters

• Chemical name: Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')(3,4-diaminobenzonitrile-κ<i>N</i>)lead(II)]
• Formula: C11 H13 N3 O4 Pb
• Calculated formula: C11 H13 N3 O4 Pb
• SMILES: N#Cc1cc(N)c(cc1)[NH2][Pb]12([O]=C(O1)C)[O]=C(O2)C
• Title of publication: Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers
• Authors of publication: Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 566 - 572
• a: 7.3724 ± 0.0008 Å
• b: 7.6349 ± 0.0008 Å
• c: 13.4069 ± 0.0015 Å
• α: 88.839 ± 0.003°
• β: 78.33 ± 0.003°
• γ: 66.035 ± 0.003°
• Cell volume: 673.71 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes