Information card for entry 7231176

Structure parameters

• Formula: C38 H34 N14 O4 Pb2
• Calculated formula: C38 H34 N14 O4 Pb2
• SMILES: [Pb]123(OC(=N[N]1=C(c1[n]2cccc1)c1ccccc1)c1cccnc1)([N](=N#N)[Pb]12(OC(=N[N]1=C(c1[n]2cccc1)c1ccccc1)c1cccnc1)([N]3=N#N)[OH]C)[OH]C
• Title of publication: On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds
• Authors of publication: Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 34
• Pages of publication: 5033
• a: 10.986 ± 0.0004 Å
• b: 21.7326 ± 0.0007 Å
• c: 8.8856 ± 0.0004 Å
• α: 90°
• β: 108.941 ± 0.004°
• γ: 90°
• Cell volume: 2006.6 ± 0.14 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: 0.0854
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No