Information card for entry 7241208

Structure parameters

• Formula: C176 H112 O41.42 Pb16
• Calculated formula: C176 H114.488 O41.244 Pb16
• Title of publication: Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates
• Authors of publication: Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 35.3686 ± 0.0018 Å
• b: 10.869 ± 0.0005 Å
• c: 27.3181 ± 0.0013 Å
• α: 90°
• β: 127.839 ± 0.0016°
• γ: 90°
• Cell volume: 8293.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No