Information card for entry 4071365

Structure parameters

• Formula: C24 H18 Cl3 N9 O P Rh
• Calculated formula: C24 H18 Cl3 N9 O P Rh
• SMILES: [Rh]12(Cl)(Cl)(Cl)[n]3nn(cc3P(=O)(c3[n]1nn(c3)c1ccccc1)c1[n]2nn(c1)c1ccccc1)c1ccccc1
• 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: 9.3892 ± 0.0002 Å
• b: 16.7894 ± 0.0005 Å
• c: 21.7055 ± 0.0007 Å
• α: 90°
• β: 109.176 ± 0.001°
• γ: 90°
• Cell volume: 3231.78 ± 0.16 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No