Information card for entry 4001620

Structure parameters

• Formula: C16 H24 Cl4 Cu N2
• Calculated formula: C16 H24 Cl4 Cu N2
• Title of publication: Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid
• Authors of publication: Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 133
• a: 7.2099 ± 0.0009 Å
• b: 7.2664 ± 0.0009 Å
• c: 38.238 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2003.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No