Information card for entry 4118694

Structure parameters

• Formula: C88 H75 Bi N8 O13 Pb S3
• Calculated formula: C88 H75 Bi N8 O13 Pb S3
• Title of publication: Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices
• Authors of publication: Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16017 - 16032
• a: 44.3331 ± 0.0012 Å
• b: 16.6415 ± 0.0004 Å
• c: 31.6038 ± 0.001 Å
• α: 90°
• β: 115.348 ± 0.001°
• γ: 90°
• Cell volume: 21071.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No