Information card for entry 7049980

Structure parameters

• Formula: C24 H32 Fe N6 O8 S2
• Calculated formula: C24 H32 Fe N6 O8 S2
• Title of publication: Spin crossover in hydrogen-bonded frameworks of Fe^II complexes with organodisulfonate anions.
• Authors of publication: Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8815 - 8825
• a: 11.684 ± 0.004 Å
• b: 11.091 ± 0.004 Å
• c: 20.735 ± 0.01 Å
• α: 90°
• β: 90.096 ± 0.007°
• γ: 90°
• Cell volume: 2687 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1023
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No