Information card for entry 7249063

Structure parameters

• Formula: C36 H54 Cl3 N15 O15.25 Pb3 S3
• Calculated formula: C36 H54 Cl3 N15 O15.25 Pb3 S3
• Title of publication: Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide
• Authors of publication: Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 32
• Pages of publication: 4357 - 4366
• a: 25.1389 ± 0.001 Å
• b: 11.3401 ± 0.0005 Å
• c: 38.3204 ± 0.0019 Å
• α: 90°
• β: 102.189 ± 0.001°
• γ: 90°
• Cell volume: 10678 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No