Information card for entry 7006710

Structure parameters

• Formula: C14 H15 N2 S Ti
• Calculated formula: C14 H15 N2 S Ti
• 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: 13.73 ± 0.003 Å
• b: 7.9 ± 0.0016 Å
• c: 12.78 ± 0.003 Å
• α: 90°
• β: 103.24 ± 0.03°
• γ: 90°
• Cell volume: 1349.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No