Information card for entry 4341508

Structure parameters

• Formula: C146 H122 Cl12 N12 O26 Pb5
• Calculated formula: C146 H122 Cl12 N12 O26 Pb5
• SMILES: [Pb]123[n]4c5C(=c6n1c(=C1c7[n]2c(=C(c2n3c(cc2)C(=c4cc5)c2ccccc2NC(=O)c2cccc(c2)CC(Cc2cccc(C(=O)Nc3c1cccc3)c2)C1=[O][Pb]234(O1)[O]=C([O]2[Pb]1([O]3C(=[O]4)C)([OH]C)([O]2[Pb]34([O]=C(C5Cc8cccc(C(=O)Nc9c(C%10=c%11[n]%12[Pb]%13%14n%15c(=C(c%12cc%11)c%11cc(OC)cc(OC)c%11)ccc%15=C(c%11[n]%14c(=C(c%12n%13c%10cc%12)c%10cc(OC)cc(c%10)OC)cc%11)c%10ccccc%10NC(=O)c%10cccc(c%10)C5)cccc9)c8)O3)([O]=C2C)[O]1=C([O]4)C)[OH]C)C)c1cc(OC)cc(c1)OC)cc7)cc6)c1cc(OC)cc(OC)c1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Pentanuclear Lead(II) Complex Based on a Strapped Porphyrin with Three Different Coordination Modes.
• Authors of publication: Le Gac, Stéphane; Furet, Eric; Roisnel, Thierry; Hijazi, Ismail; Halet, Jean-François; Boitrel, Bernard
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10660 - 10666
• a: 13.9076 ± 0.0003 Å
• b: 15.3898 ± 0.0003 Å
• c: 18.0075 ± 0.0004 Å
• α: 87.299 ± 0.001°
• β: 68.625 ± 0.001°
• γ: 84.629 ± 0.001°
• Cell volume: 3573.01 ± 0.13 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: 0.0791
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No