Information card for entry 7035597

Structure parameters

• Formula: C50 H40 Cl4 Co N6 S2
• Calculated formula: C50 H40 Cl4 Co N6 S2
• Title of publication: Synthesis, structure and properties of [Co(NCS)2(4-(4-chlorobenzyl)pyridine)2]n, that shows slow magnetic relaxations and a metamagnetic transition.
• Authors of publication: Werner, Julia; Tomkowicz, Zbigniew; Rams, Michał; Ebbinghaus, Stefan G.; Neumann, Tristan; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 14149 - 14158
• a: 18.8098 ± 0.0013 Å
• b: 9.5685 ± 0.0005 Å
• c: 27.6126 ± 0.0017 Å
• α: 90°
• β: 106.867 ± 0.007°
• γ: 90°
• Cell volume: 4756 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No