Information card for entry 7720017

Structure parameters

• Formula: C14 H18 Fe N18 Na2 O6
• Calculated formula: C14 H18 Fe N18 Na2 O6
• Title of publication: Locking the spin states of anionic Fe(L)₂ units in coordination polymers through alkali metal ion incorporation.
• Authors of publication: Zhou, Jing-Yao; Zhang, Hong-Dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4319 - 4326
• a: 13.6942 ± 0.0004 Å
• b: 7.7375 ± 0.0002 Å
• c: 23.4883 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2488.79 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No