Information card for entry 4329878

Structure parameters

• Common name: [Fe(L1)2](PF6)2
• Formula: C92 H73 F12 Fe N13 O12 P8
• Calculated formula: C92 H73 F12 Fe N13 O12 P8
• Title of publication: Toward an Iron(II) Spin-Crossover Grafted Phosphazene Polymer
• Authors of publication: Ross J. Davidson; Eric W. Ainscough; Andrew M. Brodie; Geoffrey B. Jameson; Mark R. Waterland; Harry R. Allcock; Mark D. Hindenlang; Boujemaa Moubaraki; Keith S. Murray; Keith C. Gordon; Raphael Horvath; Guy N. L. Jameson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8307 - 8316
• a: 15.042 ± 0.008 Å
• b: 16.34 ± 0.01 Å
• c: 20.999 ± 0.013 Å
• α: 102.77 ± 0.04°
• β: 100.59 ± 0.05°
• γ: 91.53 ± 0.03°
• Cell volume: 4936 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No