Information card for entry 7049982

Structure parameters

• Formula: C30 H33 Fe N9 O10 S2
• Calculated formula: C30 H33 Fe N9 O10 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: 10.291 ± 0.003 Å
• b: 10.517 ± 0.003 Å
• c: 16.442 ± 0.004 Å
• α: 104.274 ± 0.004°
• β: 92.164 ± 0.004°
• γ: 93.929 ± 0.005°
• Cell volume: 1717.8 ± 0.8 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: 0.0589
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1373
• 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: No
• Has Fobs: No