Information card for entry 7110584

Structure parameters

• Formula: C8 H30 F7 Fe5 N6 O26 P7
• Calculated formula: C10.6667 H45.3333 F5.33333 Fe6.66667 N8 O38.6667 P9.33333
• Title of publication: An open-framework iron phosphate with large voids, exhibiting spin-crossover
• Authors of publication: Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1305 - 1306
• a: 9.67 ± 0.002 Å
• b: 15.618 ± 0.003 Å
• c: 22.563 ± 0.005 Å
• α: 90°
• β: 90.82 ± 0.03°
• γ: 90°
• Cell volume: 3407.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1672
• Weighted residual factors for significantly intense reflections: 0.1256
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No