Information card for entry 2212318

Structure parameters

• Common name: 5-nitrosalicylato 1,1'-dimethyltitanocene
• Chemical name: Bis(η^5^-methylcyclopentadienyl)(5-nitrosalicylato-κ^2^O^1^,O^2^)titanium(IV)
• Formula: C19 H17 N O5 Ti
• Calculated formula: C19 H17 N O5 Ti
• Title of publication: Bis(η^5^-methylcyclopentadienyl)(5-nitrosalicylato-κ^2^<i>O</i>^1^,<i>O</i>^2^)titanium(IV)
• Authors of publication: Zi-Wei Gao; Fang Xu; Cai-Yun Zhang; Ling-Xiang Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m542 - m543
• a: 7.825 ± 0.003 Å
• b: 7.98 ± 0.003 Å
• c: 14.706 ± 0.005 Å
• α: 95.731 ± 0.006°
• β: 99.083 ± 0.005°
• γ: 112.056 ± 0.005°
• Cell volume: 827.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes