Information card for entry 7709883

Structure parameters

• Common name: [Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)
• Chemical name: [Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)
• Formula: C92 H62 B4 F16 Fe2.09 N24
• Calculated formula: C92 H62 B4 F16 Fe2.087 N24
• Title of publication: Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions
• Authors of publication: Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 23.555 ± 0.0004 Å
• b: 15.35 ± 0.0004 Å
• c: 26.259 ± 0.0004 Å
• α: 90°
• β: 110.733 ± 0.001°
• γ: 90°
• Cell volume: 8879.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1984
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No