Information card for entry 1555255

Structure parameters

• Formula: C12 H14 B2 F8 Fe N6 O2
• Calculated formula: C12 H14 B2 F8 Fe N6 O2
• Title of publication: A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.
• Authors of publication: Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez
• Journal of publication: Chemical science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 6612 - 6616
• a: 7.243 ± 0.0017 Å
• b: 12.882 ± 0.002 Å
• c: 23.908 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.7 ± 0.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No