Information card for entry 7231178

Structure parameters

• Formula: C62 H56 N16 O2 Pb2 S4
• Calculated formula: C62 H48 N16 O2 Pb2 S4
• 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: 9.7763 ± 0.0006 Å
• b: 11.3341 ± 0.0007 Å
• c: 15.058 ± 0.001 Å
• α: 105.607 ± 0.007°
• β: 91.747 ± 0.006°
• γ: 101.222 ± 0.006°
• Cell volume: 1570.19 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No