Information card for entry 4116317

Structure parameters

• Formula: C48 H64 B4 Bi Cl10 N24 Na S6
• Calculated formula: C26 H30 B2 Bi0.5 Cl5 N12 Na0.5 S3
• Title of publication: Structural Consequences of the Use of Hard and Soft Tripodal Ligands during Metathesis Reactions: Synthesis of the [Bis(hydrotris(methimazolyl)borato]bismuth(III) [Bis(hydrotris(pyrazolyl)borato]sodiate
• Authors of publication: John Reglinski; Mark D. Spicer; Mark Garner; Alan R. Kennedy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2317 - 2318
• a: 12.968 ± 0.004 Å
• b: 13.279 ± 0.005 Å
• c: 12.825 ± 0.003 Å
• α: 109.21 ± 0.03°
• β: 95.38 ± 0.03°
• γ: 114.22 ± 0.02°
• Cell volume: 1833.6 ± 1.2 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.0641
• Goodness-of-fit parameter for significantly intense reflections: 1.412
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No