Information card for entry 7045106

Structure parameters

• Formula: C30 H20 Co N18 O2
• Calculated formula: C30 H20 Co N18 O2
• SMILES: C(=NO[Co]12([n]3c(cccc3)c3[n]1nc(c1ccccn1)n3N)(ON=C(C#N)C#N)[n]1c(c3cccc[n]23)n(c(c2ccccn2)n1)N)(C#N)C#N
• Title of publication: Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.
• Authors of publication: Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1498 - 1512
• a: 9.0417 ± 0.0004 Å
• b: 9.8054 ± 0.0004 Å
• c: 9.8315 ± 0.0004 Å
• α: 86.688 ± 0.003°
• β: 63.486 ± 0.004°
• γ: 82.592 ± 0.004°
• Cell volume: 773.45 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No