Information card for entry 7006708

Structure parameters

• Formula: C20.5 H34 Cl2 N8 S3 Ti2
• Calculated formula: C20.5 H34 Cl2 N8 S3 Ti2
• Title of publication: Dihydrobis(methimazolyl)borate and methimazolyl complexes of titanium.
• Authors of publication: Hill, Anthony F.; Smith, Matthew K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 28 - 30
• a: 12.981 ± 0.005 Å
• b: 12.981 ± 0.005 Å
• c: 36.183 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6097 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No