Information card for entry 4301398

Structure parameters

• Formula: C15 H20 Fe N9 Na O3
• Calculated formula: C15 H14 Fe N9 Na O3
• Title of publication: Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units
• Authors of publication: Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; James Raftery; Rachel Shaw; Catherine A. Swanson; Inge Asselberghs; Koen Clays; Bruce S. Brunschwig; Anthony G. Fitch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1370 - 1379
• a: 7.6975 ± 0.0003 Å
• b: 7.9969 ± 0.0003 Å
• c: 15.8435 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 975.26 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.6926 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No