Information card for entry 7005471

Structure parameters

• Chemical name: Dinitrosyl-(1,2-bis(hydroxymethylphosphino)ethane)iron(II)
• Formula: C6 H16 Fe N2 O6 P2
• Calculated formula: C6 H16 Fe N2 O6 P2
• SMILES: [Fe]1([P](CC[P]1(CO)CO)(CO)CO)(N=O)N=O
• 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: 7.6992 ± 0.001 Å
• b: 8.5741 ± 0.0011 Å
• c: 11.2515 ± 0.0015 Å
• α: 95.919 ± 0.015°
• β: 106.994 ± 0.015°
• γ: 109.827 ± 0.014°
• Cell volume: 651.11 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No