Information card for entry 7049987

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: 8.1701 ± 0.0014 Å
• b: 11.0096 ± 0.0019 Å
• c: 18.996 ± 0.003 Å
• α: 81.957 ± 0.004°
• β: 82.96 ± 0.004°
• γ: 83.269 ± 0.004°
• Cell volume: 1670.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No