Information card for entry 7018037

Structure parameters

• Formula: C12 H8 N6
• Calculated formula: C12.006 H8 N6.003
• Title of publication: Tetrapodal amidoxime ligands I. Coordination isomerism due to self-complementary dimerization of a pyramidal cobalt(iii) coordination module.
• Authors of publication: Boyd, John P.; Irran, Elisabeth; Grohmann, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2477 - 2485
• a: 6.6056 ± 0.0002 Å
• b: 10.9046 ± 0.0004 Å
• c: 16.8884 ± 0.0005 Å
• α: 90°
• β: 97.859 ± 0.003°
• γ: 90°
• Cell volume: 1205.07 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No