Information card for entry 7104125

Structure parameters

• Formula: C70 H66 Cl4 Fe2 N20 O19
• Calculated formula: C70 H60 Cl4 Fe2 N20 O19
• Title of publication: Asymmetric spin crossover behaviour and evidence of light-induced excited spin state trapping in a dinuclear iron(II) helicate.
• Authors of publication: Pelleteret, Diane; Clérac, Rodolphe; Mathonière, Corine; Harté, Etienne; Schmitt, Wolfgang; Kruger, Paul E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 221 - 223
• a: 21.25 ± 0.004 Å
• b: 10.756 ± 0.002 Å
• c: 33.469 ± 0.007 Å
• α: 90°
• β: 90.32 ± 0.03°
• γ: 90°
• Cell volume: 7650 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No