Information card for entry 7720016

Structure parameters

• Formula: C16 H14 Fe K2 N18 O2
• Calculated formula: C16 H14 Fe K2 N18 O2
• 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: 13.5376 ± 0.0006 Å
• b: 8.0985 ± 0.0004 Å
• c: 21.7556 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2385.16 ± 0.19 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No