Information card for entry 7227311

Structure parameters

• Formula: C26 H18 Co N4 O2 S2
• Calculated formula: C26 H18 Co N4 O2 S2
• Title of publication: Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.
• Authors of publication: Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 3232 - 3243
• a: 6.7549 ± 0.0002 Å
• b: 11.0133 ± 0.0003 Å
• c: 32.2549 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.56 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No