Information card for entry 7719493

Structure parameters

• Formula: C8 H7 Co N3 O S2
• Calculated formula: C8 H7 Co N3 O S2
• Title of publication: Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.
• Authors of publication: Robertson, Grace M.; Jaffe, Adam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14648 - 14653
• a: 7.6608 ± 0.0005 Å
• b: 7.6617 ± 0.0005 Å
• c: 18.9923 ± 0.0012 Å
• α: 90°
• β: 97.708 ± 0.003°
• γ: 90°
• Cell volume: 1104.68 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No