Information card for entry 7009035

Structure parameters

• Formula: C12 H16 B I2 N6 S3 Tl
• Calculated formula: C12 H16 B I2 N6 S3 Tl
• 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: 10.468 ± 0.002 Å
• b: 10.543 ± 0.002 Å
• c: 10.62 ± 0.002 Å
• α: 87.41 ± 0.02°
• β: 88.53 ± 0.01°
• γ: 86.64 ± 0.01°
• Cell volume: 1168.5 ± 0.4 ų
• Cell temperature: 203.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Weighted residual factors for all reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.1328
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No