Information card for entry 4349755

Structure parameters

• Formula: C26 H26 Cl2 Fe N10 O8
• Calculated formula: C26 H26 Cl2 Fe N10 O8
• Title of publication: A probe of steric ligand substituent effects on the spin crossover of Fe(ii) complexes
• Authors of publication: Bartual-Murgui, C.; Vela, S.; Darawsheh, M.; Diego, R.; Teat, S. J.; Roubeau, O.; Aromí, G.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 1374
• a: 8.326 ± 0.0005 Å
• b: 38.469 ± 0.0019 Å
• c: 9.613 ± 0.0005 Å
• α: 90°
• β: 95.768 ± 0.003°
• γ: 90°
• Cell volume: 3063.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No