Information card for entry 7025177

Structure parameters

• Formula: C63 H65 N9 O12 Zn2
• Calculated formula: C63 H65 N9 O12 Zn2
• 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: 9.9018 ± 0.0005 Å
• b: 22.1253 ± 0.0011 Å
• c: 27.9995 ± 0.0014 Å
• α: 90°
• β: 98.874 ± 0.003°
• γ: 90°
• Cell volume: 6060.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No