Information card for entry 7005477

Structure parameters

• Common name: Dinitrosyl-bis(1,3,5-triaza-7-phosphatricyclo(3,3,1,1)decane) iron(ii) tetrahydrofurane
• Chemical name: Dinitrosyl-bis(1,3,5-triaza-7-phosphatricyclo[3,3,1,1]decane) iron(II) tetrahydrofurane
• Formula: C16 H32 Fe N8 O3 P2
• Calculated formula: C16 H32 Fe N8 O3 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: 19.466 ± 0.0009 Å
• b: 6.5409 ± 0.0004 Å
• c: 19.0131 ± 0.0009 Å
• α: 90°
• β: 115.104 ± 0.005°
• γ: 90°
• Cell volume: 2192.2 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No