Information card for entry 4516164

Structure parameters

• Chemical name: Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) di(tetrafluoroborate)
• Formula: C26 H20 B2 F8 Fe N16
• Calculated formula: C26 H20 B2 F8 Fe N16
• Title of publication: Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.
• Authors of publication: Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 18466 - 18474
• a: 17.8353 ± 0.0008 Å
• b: 25.3177 ± 0.0013 Å
• c: 27.4906 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12413.3 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No