Information card for entry 4118693

Structure parameters

• Formula: C85.69 H65.3 Bi1.92 Cl6 N8 O13.53
• Calculated formula: C85.69 H61.535 Bi1.9225 Cl6 N8 O13.535
• 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: 13.622 ± 0.0006 Å
• b: 17.116 ± 0.0008 Å
• c: 19.5296 ± 0.0009 Å
• α: 101.445 ± 0.002°
• β: 93.541 ± 0.002°
• γ: 94.14 ± 0.002°
• Cell volume: 4437.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No