Information card for entry 7040197

Structure parameters

• Common name: Diphos(Si)[Fe(NO)2]
• Chemical name: Diphos(Si)[Fe(NO)2]
• Formula: C38 H34 Fe N2 O2 P2 Si
• Calculated formula: C38 H34 Fe N2 O2 P2 Si
• SMILES: [Fe]1([P](C[Si](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(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: 13.2945 ± 0.0004 Å
• b: 14.662 ± 0.0004 Å
• c: 18.8123 ± 0.001 Å
• α: 90°
• β: 113.101 ± 0.003°
• γ: 90°
• Cell volume: 3372.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No