Information card for entry 7003144

Structure parameters

• Formula: C44 H54 N4 O2 Zn
• Calculated formula: C44 H54 N4 O2 Zn
• SMILES: [Zn]123(Oc4c(cc(cc4C=[N]1c1ccccc1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[n]1cn(c2ccccc12)C
• Title of publication: Autocatalytic demetalation of a Zn(salphen) complex provoked by unprotected N-heterocycles
• Authors of publication: Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 734 - 737
• a: 9.4787 ± 0.0006 Å
• b: 14.6726 ± 0.0011 Å
• c: 14.9753 ± 0.001 Å
• α: 103.503 ± 0.004°
• β: 107.774 ± 0.003°
• γ: 91.8 ± 0.004°
• Cell volume: 1916.6 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No