Information card for entry 7714211

Structure parameters

• Formula: C12 H25 Cl3 Co F6 N5 O6 S2
• Calculated formula: C12 H25 Cl3 Co F6 N5 O6 S2
• Title of publication: Synthesis of Nitrogen Mustards on Cobalt(III)
• Authors of publication: Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.5162 ± 0.0003 Å
• b: 10.8096 ± 0.0002 Å
• c: 16.194 ± 0.0003 Å
• α: 90°
• β: 111.555 ± 0.002°
• γ: 90°
• Cell volume: 2526.17 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No