Information card for entry 7248134

Structure parameters

• Formula: C9 H9 N7 Pb S3
• Calculated formula: C9 H9 N7 Pb S3
• Title of publication: On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives
• Authors of publication: Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1637 - 1646
• a: 7.8039 ± 0.0004 Å
• b: 11.1545 ± 0.0007 Å
• c: 33.709 ± 0.002 Å
• α: 90°
• β: 90.944 ± 0.002°
• γ: 90°
• Cell volume: 2933.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No