Information card for entry 1575400

Structure parameters

• Chemical name: [CoCl(Cl-tPy)]
• Formula: C15 H10 Cl3 Co N3
• Calculated formula: C15 H10 Cl6 Co2 N3
• Title of publication: Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.
• Authors of publication: Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16610 - 16624
• a: 9.8918 ± 0.0003 Å
• b: 8.8858 ± 0.0003 Å
• c: 17.4486 ± 0.0006 Å
• α: 90°
• β: 99.352 ± 0.001°
• γ: 90°
• Cell volume: 1513.29 ± 0.09 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 5
• 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: 0.0114
• Residual factor for significantly intense reflections: 0.0093
• Weighted residual factors for all reflections included in the refinement: 0.0136
• RFsqd: 0.0167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8733
• Diffraction radiation wavelength: 0.2488 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No