Information card for entry 8103139

Structure parameters

• Chemical name: [(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]- benzene-1,4-dicarboxylato], [Pb(C~19~H~10~N~4~FCl)~2~(C~8~H~4~O~4~)]
• Formula: C46 H24 Cl2 F2 N8 O4 Pb
• Calculated formula: C46 H24 Cl2 F2 N8 O4 Pb
• Title of publication: Crystal structure of [(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline]-(benzene-1,4-dicarboxylato)lead(II), Pb(C19H10N4FCl)2(C8H4O4)
• Authors of publication: Xiu-Yan Wang; Xiao-Yuan Ma; Hong-Bin Xu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 149
• a: 11.9754 ± 0.0017 Å
• b: 17.585 ± 0.003 Å
• c: 19.587 ± 0.003 Å
• α: 90°
• β: 106.981 ± 0.002°
• γ: 90°
• Cell volume: 3944.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No