Information card for entry 4335234

Structure parameters

• Formula: C52 H48 Cl2 Fe N10 O15
• Calculated formula: C52 H48 Cl2 Fe N10 O15
• Title of publication: Multimetastability in a Spin-Crossover Compound Leading to Different High-Spin-to-Low-Spin Relaxation Dynamics
• Authors of publication: Gavin A. Craig; Jose Sánchez Costa; Simon J. Teat; Olivier Roubeau; Dmitry S. Yufit; Judith A. K. Howard; Guillem Aromí
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7203 - 7209
• a: 12.262 ± 0.005 Å
• b: 13.385 ± 0.005 Å
• c: 17.217 ± 0.005 Å
• α: 104.127 ± 0.005°
• β: 98.45 ± 0.005°
• γ: 106.134 ± 0.005°
• Cell volume: 2561.5 ± 1.6 ų
• Cell temperature: 30 K
• Ambient diffraction temperature: 30 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: 0.1361
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No