Information card for entry 7005970

Structure parameters

• Formula: C18.5 H28 B Cl7 N6 O S3 Ti
• Calculated formula: C18.5 H28 B Cl7 N6 O S3 Ti
• Title of publication: A homoleptic hydrotris(methimazolyl)borate complex of titanium.
• Authors of publication: Hill, Anthony F.; Smith, Matthew K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3363 - 3364
• a: 10.409 ± 0.002 Å
• b: 13.165 ± 0.003 Å
• c: 13.445 ± 0.003 Å
• α: 75.65 ± 0.03°
• β: 72.6 ± 0.03°
• γ: 72.72 ± 0.03°
• Cell volume: 1653 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1145
• 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: No
• Has Fobs: No