Information card for entry 7009034

Structure parameters

• Formula: C9 H14 B0.67 Cl2 I0.33 N4 O0.67 S2 Tl0.33
• Calculated formula: C9 H12 B1.33333 Cl2 I0.333333 N4 O0.666667 S2 Tl0.333333
• Title of publication: Preparation and crystal structure of the [bis{hydrotris(methimazolyl)borato}thallium(III)] cation: modulated chemistry resulting from the use of soft and hard tripodal ligands
• Authors of publication: Slavin, Paul A.; Reglinski, John; Spicer, Mark D.; Kennedy, Alan R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 239
• a: 17.272 ± 0.003 Å
• b: 17.272 Å
• c: 17.272 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5152.6 ± 0.9 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 9
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.0748
• Goodness-of-fit parameter for significantly intense reflections: 2.514
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No