Information card for entry 4301517

Structure parameters

• Formula: C26 H18 Cu N12 O3
• Calculated formula: C26 H16 Cu N12 O3
• Title of publication: Magnetic Bistability and Thermochromism in a Molecular CuII Chain
• Authors of publication: Fatima Setifi; Samia Benmansour; Mathieu Marchivie; Gaëlle Dupouy; Smail Triki; Jean Sala-Pala; Jean-Yves Salaün; Carlos J. Gómez-García; Sébastien Pillet; Claude Lecomte; Eliseo Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1269 - 1271
• a: 10.0792 ± 0.0006 Å
• b: 11.9676 ± 0.0005 Å
• c: 24.9148 ± 0.0012 Å
• α: 90°
• β: 89.467 ± 0.004°
• γ: 90°
• Cell volume: 3005.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No