Information card for entry 7025175

Structure parameters

• Formula: C60 H66 N6 O4 Zn2
• Calculated formula: C60 H66 N6 O4 Zn2
• SMILES: c12c(C(C)(C)C)cc(cc2C=[N]2c3ccccc3[N]3=Cc4ccccc4[O]4[Zn]23(O1)[O]1c2ccccc2C=[N]2c3c([N]5=Cc6c(c(C(C)(C)C)cc(C(C)(C)C)c6)O[Zn]4512)cccc3)C(C)(C)C.C(#N)C.C(#N)C
• Title of publication: Self-assembly of Zn(salphen) complexes: steric regulation, stability studies and crystallographic analysis revealing an unexpected dimeric 3,3'-t-Bu-substituted Zn(salphen) complex.
• Authors of publication: Martínez Belmonte, Marta; Wezenberg, Sander J.; Haak, Robert M.; Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4541 - 4550
• a: 10.2145 ± 0.0013 Å
• b: 12.2716 ± 0.0007 Å
• c: 12.7552 ± 0.0008 Å
• α: 114.879 ± 0.002°
• β: 97.484 ± 0.003°
• γ: 105.221 ± 0.002°
• Cell volume: 1345.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No