Information card for entry 4314039

Structure parameters

• Formula: C34 H58 B P2 Tl
• Calculated formula: C34 H58 B P2 Tl
• SMILES: [Tl]1[P](C[B](c2cc(cc(c2)C)C)(c2cc(cc(c2)C)C)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Bis(phosphino)borates: A New Family of Monoanionic Chelating Phosphine Ligands
• Authors of publication: J. Christopher Thomas; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5055 - 5073
• a: 11.7142 ± 0.0009 Å
• b: 16.4401 ± 0.0013 Å
• c: 19.1967 ± 0.0015 Å
• α: 83.288 ± 0.001°
• β: 81.391 ± 0.001°
• γ: 72.064 ± 0.001°
• Cell volume: 3467.8 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No