Information card for entry 4114081

Structure parameters

• Formula: C464 H396 F96 N96 O105 Pb16 S64
• Calculated formula: C464 H396 F96 N96 O105 Pb16 S64
• Title of publication: Self-Assembly, Structure, and Dynamic Interconversion of Metallosupramolecular Architectures Generated by Pb(II) Binding-Induced Unfolding of a Helical Ligand
• Authors of publication: Mihail Barboiu; Gavin Vaughan; Roland Graff; Jean-Marie Lehn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10257 - 10265
• a: 31.05 ± 0.002 Å
• b: 52.013 ± 0.004 Å
• c: 37.379 ± 0.004 Å
• α: 90°
• β: 107.013 ± 0.005°
• γ: 90°
• Cell volume: 57725 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2071
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.3209
• Weighted residual factors for all reflections included in the refinement: 0.3663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.32826 Å
• Diffraction radiation type: X-Rays
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No