Information card for entry 7005476

Structure parameters

• Chemical name: Trinitrosyl(tris(hydroxymethyl)phosphino)iron(II) hexafluorophosphate
• Formula: C3 H9 F6 Fe N3 O6 P2
• Calculated formula: C3 H9 F6 Fe N3 O6 P2
• Title of publication: Developing iron nitrosyl complexes as NO donor prodrugs.
• Authors of publication: Dillinger, Sandra A. T.; Schmalle, Helmut W.; Fox, Thomas; Berke, Heinz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3562 - 3571
• a: 24.693 ± 0.003 Å
• b: 6.6317 ± 0.001 Å
• c: 8.2556 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1351.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No