Information card for entry 4117391

Structure parameters

• Formula: C28 H33 Br0.66 Cl0.34 Mg O2
• Calculated formula: C28 H33 Br0.656 Cl0.344 Mg O2
• Title of publication: A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand
• Authors of publication: Aaron Sattler; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2355 - 2366
• a: 7.8735 ± 0.0009 Å
• b: 8.7919 ± 0.001 Å
• c: 37.038 ± 0.004 Å
• α: 88.55 ± 0.002°
• β: 88.722 ± 0.002°
• γ: 89.755 ± 0.002°
• Cell volume: 2562.4 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No