Information card for entry 7045141

Structure parameters

• Formula: C28 H22 Co N2 O4
• Calculated formula: C28 H22 Co N2 O4
• SMILES: c1(ccc2ccc3ccc(C)[n]4c3c2[n]1[Co]124([O]=C(c3ccccc3)O1)[O]=C(c1ccccc1)O2)C
• 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: 11.296 ± 0.0006 Å
• b: 15.9061 ± 0.0009 Å
• c: 13.4636 ± 0.0008 Å
• α: 90°
• β: 106.951 ± 0.006°
• γ: 90°
• Cell volume: 2314 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No