Information card for entry 7244987

Structure parameters

• Formula: C22.5 H22.5 Fe N7.5 O3.5
• Calculated formula: C22.5 H22.5 Fe N7.5 O3.5
• Title of publication: Metal ions impact on the isostructurality and properties of 2D coordination polymers
• Authors of publication: Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.377 ± 0.003 Å
• b: 9.4953 ± 0.0013 Å
• c: 10.2036 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1199.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No