Information card for entry 7133471

Structure parameters

• Formula: C8 H3.6 Cl2 O4.8 Pb
• Calculated formula: C8 H3.6 Cl2 O4.8 Pb
• Title of publication: Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(II) coordination polymer of elusive topology.
• Authors of publication: Khan, Samim; Naaz, Sanobar; Ahmad, Shamim; Gomila, Rosa M.; Chanthapally, Anjana; Frontera, Antonio; Mir, Mohammad Hedayetullah
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 75
• Pages of publication: 10370 - 10373
• a: 19.6501 ± 0.0003 Å
• b: 19.6501 ± 0.0003 Å
• c: 13.3615 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4468.02 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No