Information card for entry 4350827

Structure parameters

• Formula: C12 H8 Cl2 Co N4 S2
• Calculated formula: C12 H8 Cl2 Co N4 S2
• Title of publication: Variation of the Chain Geometry in Isomeric 1D Co(NCS)2 Coordination Polymers and Their Influence on the Magnetic Properties
• Authors of publication: Michael Böhme; Aleksej Jochim; Michał Rams; Thomas Lohmiller; Stefan Suckert; Alexander Schnegg; Winfried Plass; Christian Näther
• Journal of publication: Inorganic Chemistry
• Year of publication: 2020
• Journal volume: 59
• Journal issue: 8
• Pages of publication: 5325 - 5338
• a: 20.3687 ± 0.0011 Å
• b: 8.8343 ± 0.0005 Å
• c: 18.9769 ± 0.0009 Å
• α: 90°
• β: 115.79 ± 0.005°
• γ: 90°
• Cell volume: 3074.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No