Information card for entry 7038475

Structure parameters

• Formula: C42 H24 F12 N O3 P3 W
• Calculated formula: C42 H24 F12 N O3 P3 W
• SMILES: [W]12([P](CN(C[P]1(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C[P]2(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)(C#[O])(C#[O])C#[O]
• Title of publication: Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).
• Authors of publication: Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5536 - 5548
• a: 10.3366 ± 0.0002 Å
• b: 8.366 ± 0.0002 Å
• c: 45.8955 ± 0.001 Å
• α: 90°
• β: 92.65 ± 0.002°
• γ: 90°
• Cell volume: 3964.61 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No