Information card for entry 4071367

Structure parameters

• Formula: C36 H26 Mo N9 O9 P W
• Calculated formula: C36 H26 Mo N9 O9 P W
• SMILES: [W]([P]12c3[n]([Mo]([n]4nn(cc14)c1ccccc1)([n]1nn(cc21)c1ccccc1)(C#[O])(C#[O])C#[O])nn(c3)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: 10.87209 ± 0.00006 Å
• b: 17.3152 ± 0.0002 Å
• c: 29.607 ± 0.0006 Å
• α: 90°
• β: 98.052 ± 0.001°
• γ: 90°
• Cell volume: 5518.64 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No