Information card for entry 7231177

Structure parameters

• Formula: C18 H15 Br N4 O2 Pb
• Calculated formula: C18 H15 Br N4 O2 Pb
• 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: 9.2807 ± 0.0013 Å
• b: 10.2962 ± 0.0015 Å
• c: 10.9703 ± 0.0013 Å
• α: 103.736 ± 0.002°
• β: 105.229 ± 0.003°
• γ: 102.2 ± 0.002°
• Cell volume: 939.7 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No