Information card for entry 7039198

Structure parameters

• Formula: C44 H40 Co N14
• Calculated formula: C44 H40 Co N14
• SMILES: c1[n]([Co]([n]2ccn(c2)Cc2ccccc2)([n]2ccn(c2)Cc2ccccc2)([n]2ccn(c2)Cc2ccccc2)(N=C=NC#N)N=C=NC#N)ccn1Cc1ccccc1
• Title of publication: Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.
• Authors of publication: Switlicka-Olszewska, Anna; Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Cano, Joan; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10181 - 10193
• a: 9.4691 ± 0.0006 Å
• b: 9.6862 ± 0.0006 Å
• c: 12.6826 ± 0.0007 Å
• α: 92.904 ± 0.005°
• β: 96.747 ± 0.005°
• γ: 115.86 ± 0.006°
• Cell volume: 1032.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No