Information card for entry 4338500

Structure parameters

• Formula: C32 H20 Co N18
• Calculated formula: C32 H20 Co N18
• SMILES: C(=C(C#N)C#N)=N[Co]12([n]3nc(n(c3c3cccc[n]13)N)c1ccccn1)(N=C=C(C#N)C#N)[n]1c(n(c(n1)c1ccccn1)N)c1cccc[n]21
• Title of publication: Slow Magnetic Relaxation in Octahedral Cobalt(II) Field-Induced Single-Ion Magnet with Positive Axial and Large Rhombic Anisotropy.
• Authors of publication: Herchel, Radovan; Váhovská, Lucia; Potočňák, Ivan; Trávníček, Zdeněk
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5896 - 5898
• a: 9.2021 ± 0.0002 Å
• b: 9.3522 ± 0.0003 Å
• c: 9.9504 ± 0.0003 Å
• α: 68.181 ± 0.003°
• β: 87.493 ± 0.002°
• γ: 87.47 ± 0.002°
• Cell volume: 793.87 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No