Information card for entry 7049983

Structure parameters

• Formula: C30 H42 Fe N8 O8 S2
• Calculated formula: C30 H42 Fe N8 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: 8.2237 ± 0.0011 Å
• b: 11.4238 ± 0.0016 Å
• c: 18.808 ± 0.002 Å
• α: 83.426 ± 0.004°
• β: 81.647 ± 0.004°
• γ: 82.658 ± 0.004°
• Cell volume: 1725.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No