Information card for entry 7713380

Structure parameters

• Chemical name: [Cu(chxn)2I]I
• Formula: C12 H28 Cu I2 N4
• Calculated formula: C12 H28 Cu I2 N4
• Title of publication: Spin dynamics in a Heisenberg weak antiferromagnetic chain of an iodide-bridged Cu(II) complex
• Authors of publication: Wakizaka, Masanori; Arczyński, Mirosław; Gupta, Shraddha; Takaishi, Shinya; Yamashita, Masahiro
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.3636 ± 0.0002 Å
• b: 9.3636 ± 0.0002 Å
• c: 18.1008 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1374.4 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0136
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No