Information card for entry 2019654

Structure parameters

• Chemical name: Poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]
• Formula: C40 H30 N6 O10 Pb2
• Calculated formula: C40 H30 N6 O10 Pb2
• SMILES: [Pb+2].[O-]C(=O)c1ccccc1/N=N/c1c(cccc1)C(=O)[O-].[Pb+2].[O-]C(=O)c1ccccc1/N=N/c1c(cccc1)C(=O)[O-].c1cc(ccn1)/C=C/c1ccncc1.O.O
• Title of publication: The three-dimensional coordination polymer poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]
• Authors of publication: Ma, Fengji; Yu, Caixia; Wang, Huijuan; Zhao, Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 934 - 936
• a: 8.2704 ± 0.0017 Å
• b: 9.927 ± 0.002 Å
• c: 11.729 ± 0.002 Å
• α: 95.99 ± 0.03°
• β: 101.66 ± 0.03°
• γ: 97.16 ± 0.03°
• Cell volume: 927.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.018
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes