Information card for entry 4347124

Structure parameters

• Formula: C193.5 H135.5 Br8 Cl8 Fe8 N48.5 O36.5
• Calculated formula: C193.5 H135.5 Br8 Cl7.5 Fe8 N48.5 O34.5
• 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: 19.2517 ± 0.0005 Å
• b: 20.2665 ± 0.0006 Å
• c: 28.581 ± 0.0008 Å
• α: 77.211 ± 0.002°
• β: 88.923 ± 0.002°
• γ: 86.843 ± 0.002°
• Cell volume: 10857.9 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No