Information card for entry 4070596

Structure parameters

• Formula: C22 H35 B Cl2 N4 O S2 Ta
• Calculated formula: C22 H35 B Cl2 N4 O S2 Ta
• Title of publication: Near Linear Ta−H−B Geometry: [TaCl2(η-C5Me5){κ3-H,S,S′-H2B(methimazolyl)2}]
• Authors of publication: Hill, Anthony F.; Smith, Matthew K.; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2137
• a: 8.596 ± 0.0017 Å
• b: 14.522 ± 0.003 Å
• c: 11.155 ± 0.002 Å
• α: 90°
• β: 94.99 ± 0.03°
• γ: 90°
• Cell volume: 1387.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No