Information card for entry 4350423

Structure parameters

• Formula: C25 H43 Fe N3 P2 Si
• Calculated formula: C25 H43 Fe N3 P2 Si
• SMILES: [FeH]12([P](Cc3[n]2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([SiH2]c1ccccc1)[N]#N
• Title of publication: Bis(diisopropylphosphino)pyridine iron dicarbonyl, dihydride, and silyl hydride complexes.
• Authors of publication: Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7252 - 7260
• a: 13.7772 ± 0.0006 Å
• b: 10.7188 ± 0.0005 Å
• c: 22.1923 ± 0.001 Å
• α: 90°
• β: 107.543 ± 0.002°
• γ: 90°
• Cell volume: 3124.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No