Information card for entry 4301969

Structure parameters

• Formula: C90 H73 F24 Fe4 N21 O P4
• Calculated formula: C90 H68 F24 Fe4 N21 O P4
• Title of publication: Polynuclear Spin Crossover Complexes: Synthesis, Structure, and Magnetic Behavior of [Fe4(μ-CN)4(phen)4(L)2)]4+ Squares
• Authors of publication: Ishtvan Boldog; Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Maksym Seredyuk; José A. Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3710 - 3719
• a: 28.247 ± 0.0007 Å
• b: 12.658 ± 0.0004 Å
• c: 30.126 ± 0.001 Å
• α: 90°
• β: 116.748 ± 0.002°
• γ: 90°
• Cell volume: 9619 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.2309
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No