Information card for entry 7706293

Structure parameters

• Formula: C12 H8 Br2 Co N4 S2
• Calculated formula: C12 H8 Br2 Co N4 S2
• Title of publication: Thermodynamically metastable chain and stable layered Co(NCS)₂ coordination polymers: thermodynamic relations and magnetic properties.
• Authors of publication: Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15310 - 15322
• a: 10.8822 ± 0.0004 Å
• b: 9.3042 ± 0.0004 Å
• c: 7.6492 ± 0.0006 Å
• α: 90°
• β: 95.274 ± 0.004°
• γ: 90°
• Cell volume: 771.2 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No