Information card for entry 7715592

Structure parameters

• Chemical name: Tz2PbCl4
• Formula: C4 H8 Cl4 N6 Pb
• Calculated formula: C4 H8 Cl4 N6 Pb
• Title of publication: Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.
• Authors of publication: Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6906 - 6919
• a: 8.2929 ± 0.0002 Å
• b: 7.5535 ± 0.0002 Å
• c: 21.7496 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1362.4 ± 0.07 ų
• Cell temperature: 360.01 ± 0.1 K
• Ambient diffraction temperature: 360.15 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No