Information card for entry 7050396

Structure parameters

• Formula: C30 H31 Cl3 O P Ta
• Calculated formula: C30 H31 Cl3 O P Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)(OC(=C/[P]1(c1ccccc1)c1ccccc1)\c1ccccc1)[c]1([c]2([c]3([c]4([c]15C)C)C)C)C
• Title of publication: Monocyclopentadienyl complexes of niobium, tantalum and tungsten containing heterodifunctional P,O ligands
• Authors of publication: Morise, Xavier; Green, Malcolm L. H.; Braunstein, Pierre; Rees, Leigh H.; Vei, Ino C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 32 - 38
• a: 42.5519 ± 0.0005 Å
• b: 42.5519 ± 0.0005 Å
• c: 8.7407 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13706.1 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections included in the refinement: 0.0298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No