Information card for entry 7231179

Structure parameters

• Formula: C10 H10 N6 Pb S3
• Calculated formula: C10 H10 N6 Pb S3
• 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: 9.0368 ± 0.0007 Å
• b: 11.3777 ± 0.001 Å
• c: 7.6503 ± 0.0006 Å
• α: 90°
• β: 112.279 ± 0.004°
• γ: 90°
• Cell volume: 727.87 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No