Information card for entry 7214329

Structure parameters

• Formula: C15 H9 N13 O12 Pb2
• Calculated formula: C15 H9 N13 O12 Pb2
• SMILES: c1(c2[n]([Pb]34(ON(=O)=O)ON(=O)=O)cccn2)nc(c2[n]([Pb]56(ON(=O)=O)ON(=O)=O)cccn2)[n]5c([n]13)c1[n]4cccn16
• Title of publication: Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2
• Authors of publication: Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3466
• a: 9.4199 ± 0.0003 Å
• b: 12.6344 ± 0.0004 Å
• c: 20.5258 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2442.87 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No