Information card for entry 4301574

Structure parameters

• Formula: C26.5 H27 Cl Fe N6 O9
• Calculated formula: C26.5 H26 Cl Fe N6 O9
• Title of publication: Two-Step Spin-Transition Iron(III) Compound with a Wide [High Spin-Low Spin] Plateau
• Authors of publication: Jinkui Tang; José Sánchez Costa; Simon Smulders; Gábor Molnár; Azzedine Bousseksou; Simon J. Teat; Yangguang Li; Gerard A. van Albada; Patrick Gamez; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2128 - 2135
• a: 12.932 ± 0.002 Å
• b: 15.096 ± 0.002 Å
• c: 15.345 ± 0.002 Å
• α: 95.397 ± 0.002°
• β: 99.435 ± 0.002°
• γ: 91.806 ± 0.002°
• Cell volume: 2938.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No