Information card for entry 7054801

Structure parameters

• Formula: C60 H48 Cl2 N6 O14 Pb4
• Calculated formula: C60 H48 Cl2 N6 O14 Pb4
• SMILES: c12c(ccc(n1)C)cccc2[O]1[Pb]2[n]3c4c(cccc4[O]2[Pb]241[O](c1c5c(ccc1)ccc([n]25)C)[Pb]12([n]5c6c([O]41)cccc6ccc5C)[O](c1c4c(ccc1)ccc(n4)C)[Pb]1[n]4c5c(cccc5[O]21)ccc4C)ccc3C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes
• Authors of publication: Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5287
• a: 10.0789 ± 0.0002 Å
• b: 21.1453 ± 0.0003 Å
• c: 13.7167 ± 0.0002 Å
• α: 90°
• β: 102.148 ± 0.002°
• γ: 90°
• Cell volume: 2857.86 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No