Information card for entry 7045142

Structure parameters

• Formula: C28 H22 N2 O4 Zn
• Calculated formula: C28 H22 N2 O4 Zn
• SMILES: C(=O)(O[Zn]1([n]2c(C)ccc3ccc4ccc(C)[n]1c4c23)OC(=O)c1ccccc1)c1ccccc1
• Title of publication: Two polymorphic Co(ii) field-induced single-ion magnets with enormous angular distortion from the ideal octahedron.
• Authors of publication: Nemec, I.; Herchel, R.; Trávníček, Z
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1614 - 1623
• a: 17.722 ± 0.003 Å
• b: 14.424 ± 0.003 Å
• c: 9.2768 ± 0.0013 Å
• α: 90°
• β: 91.848 ± 0.006°
• γ: 90°
• Cell volume: 2370.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No