Information card for entry 7038479

Structure parameters

• Formula: C37 H60 N O5 P3 W
• Calculated formula: C37 H60 N O5 P3 W
• SMILES: [W]1([P](CN(C[P]1(C1CCCC1)C1CCCC1)CP(=O)(C1CCCC1)C1CCCC1)(C1CCCC1)C1CCCC1)(C#[O])(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: 20.9984 ± 0.0005 Å
• b: 20.2089 ± 0.0004 Å
• c: 8.90858 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3780.4 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No