Information card for entry 4347122

Structure parameters

• Formula: C99 H71 Br4 F24 Fe4 N25 O2 P4
• Calculated formula: C99 H71 Br4 F24 Fe4 N25 O2 P4
• Title of publication: Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.
• Authors of publication: Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2363 - 2373
• a: 31.9125 ± 0.001 Å
• b: 13.2104 ± 0.0002 Å
• c: 27.7411 ± 0.0008 Å
• α: 90°
• β: 120.658 ± 0.002°
• γ: 90°
• Cell volume: 10060.4 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No