Information card for entry 7040196

Structure parameters

• Common name: (MePPh2)2[Fe(NO)2]
• Chemical name: (MePPh2)2[Fe(NO)2]
• Formula: C26 H26 Fe N2 O2 P2
• Calculated formula: C26 H26 Fe N2 O2 P2
• SMILES: [Fe]([P](c1ccccc1)(C)c1ccccc1)([P](c1ccccc1)(C)c1ccccc1)(N=O)N=O
• Title of publication: Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.
• Authors of publication: Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10271 - 10279
• a: 15.8429 ± 0.0004 Å
• b: 16.3266 ± 0.0005 Å
• c: 38.8855 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10058.2 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No