Information card for entry 7104525

Structure parameters

• Formula: C34 H20 Fe N18
• Calculated formula: C34 H20 Fe N18
• Title of publication: Photoinduced HS state in the first spin-crossover chain containing a cyanocarbanion as bridging ligand.
• Authors of publication: Dupouy, Gaelle; Marchivie, Mathieu; Triki, Smail; Sala-Pala, Jean; Gómez-García, Carlos J; Pillet, Sébastien; Lecomte, Claude; Létard, Jean-François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3404 - 3406
• a: 11.2359 ± 0.0003 Å
• b: 12.2079 ± 0.0002 Å
• c: 11.8655 ± 0.0002 Å
• α: 90°
• β: 91.703 ± 0.002°
• γ: 90°
• Cell volume: 1626.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No