Information card for entry 7049241

Structure parameters

• Formula: C8 H4 N3 S3
• Calculated formula: C8 H4 N3 S3
• Title of publication: Slow magnetization dynamics in a six-coordinate Fe(ii)-radical complex.
• Authors of publication: Michalowicz, Carolyn A.; Mills, Michelle B.; Song, Ellen; Soldatov, Dmitriy V.; Boyle, Paul D.; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4514 - 4519
• a: 9.7286 ± 0.0003 Å
• b: 17.2405 ± 0.0004 Å
• c: 10.7173 ± 0.0003 Å
• α: 90°
• β: 92.114 ± 0.003°
• γ: 90°
• Cell volume: 1796.35 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No