Information card for entry 7107531

Structure parameters

• Formula: C71 H58 N6 O10 Pb
• Calculated formula: C71 H58 N6 O10 Pb
• SMILES: [Pb]123n4c5=C6c7[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1cc(cc(c1)OC)OC)cc2)c1ccccc1NC(=O)c1cccc(CC(Cc2cccc(C(=O)Nc4c6cccc4)c2)(C(=O)OCC)C(=O)OCC)c1)cc3)c1cc(cc(c1)OC)OC)cc7
• Title of publication: Translocation-coupled transmetalation at the origin of a dinuclear lead porphyrin complex: implication of a hanging-atop coordination mode
• Authors of publication: Stephane Le Gac; Btissam Najjari; Luca Fusaro; Thierry Roisnel; Vincent Dorcet; Michel Luhmer; Eric Furet; Jean-Francois Halet; Bernard Boitrel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3724
• a: 51.1835 ± 0.0013 Å
• b: 51.1835 Å
• c: 16.2681 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 36908.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0688
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No