Information card for entry 7706291

Structure parameters

• Formula: C12 H12 Br2 Co N4 O2 S2
• Calculated formula: C12 H12 Br2 Co N4 O2 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: 10.6039 ± 0.0003 Å
• b: 12.2963 ± 0.0005 Å
• c: 7.5145 ± 0.0004 Å
• α: 90°
• β: 109.444 ± 0.003°
• γ: 90°
• Cell volume: 923.93 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No