Information card for entry 7003143

Structure parameters

• Formula: C40 H52 N4 O2 Zn
• Calculated formula: C40 H52 N4 O2 Zn
• 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: 32.9872 ± 0.0019 Å
• b: 9.8259 ± 0.0006 Å
• c: 23.0204 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7461.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No