Information card for entry 7040198

Structure parameters

• Common name: Triphos(C)[Fe(NO)2]
• Chemical name: Triphos(C)[Fe(NO)2]
• Formula: C41 H39 Fe N2 O2 P3
• Calculated formula: C41 H39 Fe N2 O2 P3
• SMILES: [Fe]1([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P](c1ccccc1)c1ccccc1)C)(c1ccccc1)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: 8.4941 ± 0.0008 Å
• b: 24.785 ± 0.002 Å
• c: 18.1348 ± 0.0018 Å
• α: 90°
• β: 108.378 ± 0.008°
• γ: 90°
• Cell volume: 3623.1 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No