Information card for entry 2218243

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>] phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]lead(II)]-μ-4,4'- oxydibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] dihydrate]
• Formula: C52 H36 N8 O9 Pb
• Calculated formula: C52 H36 N8 O9 Pb
• SMILES: [Pb]12([n]3cccc4c3c3[n]1cccc3c1nc([nH]c41)c1ccc(O)cc1)([n]1cccc3c1c1[n]2cccc1c1nc([nH]c31)c1ccc(O)cc1)OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[bis[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]lead(II)]-μ-4,4'-oxydibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] dihydrate]
• Authors of publication: Xu, Mao-Liang; Zhou, Rui; Wang, Ge-Yang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m712 - m713
• a: 10.767 ± 0.004 Å
• b: 29.916 ± 0.007 Å
• c: 13.688 ± 0.004 Å
• α: 90°
• β: 97.7 ± 0.01°
• γ: 90°
• Cell volume: 4369 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes