Information card for entry 2216255

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(3- hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)–2,9-dimethyl-1,10- phenanthroline–water (1/1/3)
• Formula: C42 H40 N4 O9 Pb
• Calculated formula: C42 H40 N4 O9 Pb
• SMILES: [Pb]123([O]=C(O1)c1cccc(O)c1)(OC(=[O]2)c1cccc(O)c1)[n]1c(ccc2ccc4ccc([n]3c4c12)C)C.O.O.O.n1c(C)ccc2ccc3ccc(nc3c12)C
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(3-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)–2,9-dimethyl-1,10-phenanthroline–water (1/1/3)
• Authors of publication: Zhao, Pei-Zheng; Xuan, Xiao-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3179 - m3179
• a: 31.662 ± 0.003 Å
• b: 10.8291 ± 0.001 Å
• c: 27.381 ± 0.004 Å
• α: 90°
• β: 123.53 ± 0.001°
• γ: 90°
• Cell volume: 7825.9 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes