Information card for entry 4071366

Structure parameters

• Formula: C33 H26 N9 O6 P W
• Calculated formula: C33 H26 N9 O6 P W
• SMILES: [W]([P](c1nnn(c1)c1ccccc1)(c1nnn(c1)c1ccccc1)c1nnn(c1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Phospha-Scorpionate Complexes by Click Chemistry using Phenyl Azide and Ethynylphosphine Oxides
• Authors of publication: van Assema, Sander G. A.; Tazelaar, Cornelis G. J.; de Jong, G. Bas; van Maarseveen, Jan H.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3210
• a: 27.6093 ± 0.0005 Å
• b: 20.4105 ± 0.0005 Å
• c: 13.53985 ± 0.00018 Å
• α: 90°
• β: 114.452 ± 0.001°
• γ: 90°
• Cell volume: 6945.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No