Information card for entry 7046709

Structure parameters

• Formula: C24 H26 Cl2 Fe N6 O8
• Calculated formula: C24 H26 Cl2 Fe N6 O8
• Title of publication: Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.
• Authors of publication: García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9156 - 9163
• a: 9.2891 ± 0.0001 Å
• b: 9.2891 ± 0.0001 Å
• c: 31.9712 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2758.71 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No