Information card for entry 7027350

Structure parameters

• Formula: C12 H16 B N6 Na O3 S3
• Calculated formula: C12 H16 B N6 Na2.5 O5.5 S3
• Title of publication: Sodium hydrotris(methimazolyl)borate, a novel soft, tridentate ligand: preparation, structure and comparisons with sodium hydrotris(pyrazolyl)borate †
• Authors of publication: Reglinski, John; Garner, Mark; Cassidy, Iain D.; Slavin, Paul A.; Spicer, Mark D.; Armstrong, David R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2119
• a: 9.962 ± 0.002 Å
• b: 14.79 ± 0.002 Å
• c: 8.217 ± 0.002 Å
• α: 83.55 ± 0.01°
• β: 78.08 ± 0.02°
• γ: 72.65 ± 0.01°
• Cell volume: 1129 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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 significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0914
• Goodness-of-fit parameter for significantly intense reflections: 1.449
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No