Information card for entry 4310863

Structure parameters

• Formula: C50 H46 Cu2 N4 O14 Pb
• Calculated formula: C50 H46 Cu2 N4 O14 Pb
• SMILES: [Cu]123[O]4c5c(OC)cccc5C=[N]1CC[N]3=Cc1cccc(OC)c1[O]2[Pb]41(OC(=O)c2c(O)cccc2)(OC(=O)c2c(O)cccc2)[O]2[Cu]34[O]1c1c(OC)cccc1C=[N]4CC[N]3=Cc1cccc(OC)c12
• Title of publication: Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)
• Authors of publication: John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2708 - 2713
• a: 10.48 ± 0.002 Å
• b: 10.515 ± 0.002 Å
• c: 11.988 ± 0.002 Å
• α: 71.5 ± 0.03°
• β: 64.5 ± 0.03°
• γ: 79.52 ± 0.03°
• Cell volume: 1129.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No