Information card for entry 7714214

Structure parameters

• Formula: C12 H34 Cl5 Co N4 O2
• Calculated formula: C12 H34 Cl5 Co N4 O2
• 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: 19.2961 ± 0.0003 Å
• b: 8.0694 ± 0.0001 Å
• c: 27.6193 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4300.54 ± 0.12 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No