Information card for entry 7242376

Structure parameters

• Formula: C26 H18 F6 Fe N10 O4
• Calculated formula: C26 H18 F6 Fe N10 O4
• Title of publication: Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition
• Authors of publication: Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 15
• Pages of publication: 2854 - 2861
• a: 19.4312 ± 0.0008 Å
• b: 21.9435 ± 0.0008 Å
• c: 14.1557 ± 0.0007 Å
• α: 90°
• β: 92.787 ± 0.007°
• γ: 90°
• Cell volume: 6028.7 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No