Information card for entry 7208997

Structure parameters

• Formula: C80 H60 N12 O16 Pb2
• Calculated formula: C80 H60 N12 O16 Pb2
• SMILES: c1ccc2c3[n]1[Pb]14([n]5cccc(c35)c3c2nc2c5cccnc5c5ncccc5c2n3)OC(=[O]1)c1ccc(cc1)C=Cc1ccc(C(=O)O[Pb]23([n]5cccc6c7c(c8ccc[n]2c8c56)nc2c(n7)c5cccnc5c5ncccc25)OC(=[O]3)c2ccc(cc2)C=Cc2ccc(C(=O)O4)cc2)cc1.O.O.O.O.O.O.O.O
• Title of publication: Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal
• Authors of publication: Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 551
• a: 7.8908 ± 0.0007 Å
• b: 16.1902 ± 0.0014 Å
• c: 27.1562 ± 0.0019 Å
• α: 90°
• β: 102.083 ± 0.002°
• γ: 90°
• Cell volume: 3392.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No