Information card for entry 1512412

Structure parameters

• Formula: C20 H18 Co N4 O2
• Calculated formula: C20 H18 Co N4 O2
• SMILES: [Co]123[N]4=C(c5c(N2C(=O)C(=O)N1c1c(C(=[N]3CC4)C)cccc1)cccc5)C
• Title of publication: Synthesis and crystal structures of the first cobalt complexes of macrocyclic oxamido
• Authors of publication: Rui-hong Zhang; Qing-lun Wang; Guang-ming Yang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 178 - 183
• a: 9.182 ± 0.002 Å
• b: 7.4731 ± 0.0017 Å
• c: 13.494 ± 0.003 Å
• α: 90°
• β: 106.672 ± 0.003°
• γ: 90°
• Cell volume: 887 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No