Information card for entry 4335185

Structure parameters

• Formula: C36 H42 Cl8 Fe3 N12 P2
• Calculated formula: C36 H42 Cl8 Fe3 N12 P2
• Title of publication: Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior
• Authors of publication: Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7000 - 7009
• a: 21.5022 ± 0.0002 Å
• b: 32.0677 ± 0.0002 Å
• c: 29.0228 ± 0.0002 Å
• α: 90°
• β: 104.381 ± 0.0009°
• γ: 90°
• Cell volume: 19384.9 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No