Information card for entry 7025174

Structure parameters

• Formula: C52 H44 N4 O4 Zn2
• Calculated formula: C52 H44 N4 O4 Zn2
• SMILES: c12c(C=[N]3c4ccccc4[N]4=Cc5cccc(c5O[Zn]534[O]1[Zn]134[N](=Cc6c(c(ccc6)CC=C)[O]51)c1ccccc1[N]4=Cc1c(O3)c(ccc1)CC=C)CC=C)cccc2CC=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: 14.6644 ± 0.0005 Å
• b: 12.6647 ± 0.0004 Å
• c: 22.4167 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4163.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No