Information card for entry 7046707

Structure parameters

• Formula: C20 H26 Cl2 Fe N6 O8
• Calculated formula: C20 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: 16.9207 ± 0.0006 Å
• b: 15.7742 ± 0.0006 Å
• c: 9.8061 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.35 ± 0.19 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No