Information card for entry 7706290

Structure parameters

• Formula: C23.33 H18 Br4 Co N6.67 S2
• Calculated formula: C23.3333 H18 Br4 Co N6.66667 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: 11.1577 ± 0.0003 Å
• b: 15.6772 ± 0.0003 Å
• c: 25.97 ± 0.0007 Å
• α: 90°
• β: 97.025 ± 0.002°
• γ: 90°
• Cell volume: 4508.61 ± 0.19 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: 0.0561
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No