Information card for entry 7715541

Structure parameters

• Chemical name: Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.76:0.24 solid solution
• Formula: C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8
• Calculated formula: C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8
• Title of publication: Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.
• Authors of publication: Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6983 - 6992
• a: 8.4873 ± 0.0005 Å
• b: 8.5486 ± 0.0005 Å
• c: 18.6946 ± 0.001 Å
• α: 90°
• β: 98.424 ± 0.005°
• γ: 90°
• Cell volume: 1341.74 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No