Information card for entry 7117351

Structure parameters

• Formula: C34 H50 Br2 Cl2 N3 P
• Calculated formula: C34 H50 Br2 Cl2 N3 P
• Title of publication: N-Heterocyclic carbene-phosphino-picolines as precursors of anionic 'pincer' ligands with dearomatised pyridine backbones; transmetallation from potassium to chromium
• Authors of publication: Thomas Simler; Andreas A. Danopoulos; Pierre Braunstein
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10699
• a: 12.1055 ± 0.0004 Å
• b: 25.0614 ± 0.0009 Å
• c: 14.662 ± 0.0004 Å
• α: 90°
• β: 123.958 ± 0.002°
• γ: 90°
• Cell volume: 3689.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117348
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No