Information card for entry 7709587

Structure parameters

• Formula: C16 H14 Cl4 Cu N5 O10
• Calculated formula: C16 H14 Cl4 Cu N5 O10
• Title of publication: Approaching the isotropic spin-ladder regime: Structure and magnetism of all-pyrazine-bridged copper(II)-based antiferromagnetic ladders
• Authors of publication: Monroe, Jeffrey C.; Carvajal, M.Angels; Landee, Christopher P.; Deumal, Mercè; Turnbull, Mark M.; Wikaira, Jan L.; Dawe, Louise N.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.3908 ± 0.0005 Å
• b: 6.83271 ± 0.00013 Å
• c: 16.4846 ± 0.0003 Å
• α: 90°
• β: 99.288 ± 0.002°
• γ: 90°
• Cell volume: 2377.75 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No