Information card for entry 7227312

Structure parameters

• Formula: C16 H14 Co N4 S2
• Calculated formula: C16 H14 Co N4 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: 9.105 ± 0.0005 Å
• b: 10.7073 ± 0.0006 Å
• c: 11.0049 ± 0.0006 Å
• α: 115.112 ± 0.004°
• β: 93.167 ± 0.005°
• γ: 110.952 ± 0.004°
• Cell volume: 879.62 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No