Information card for entry 7005470

Structure parameters

• Chemical name: Dinitrosyl-bis[tris(hydroxymethyl)phoshine]iron(II)
• Formula: C6 H18 Fe N2 O8 P2
• Calculated formula: C6 H18 Fe N2 O8 P2
• SMILES: [Fe]([P](CO)(CO)CO)([P](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: 6.8833 ± 0.0007 Å
• b: 9.4457 ± 0.0009 Å
• c: 11.4636 ± 0.001 Å
• α: 89.368 ± 0.011°
• β: 72.801 ± 0.011°
• γ: 77.584 ± 0.011°
• Cell volume: 694.25 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No