Information card for entry 7103537

Structure parameters

• Common name: (TiCl(NH(CH3)2)2(N(CH3)2)2)+ (TiCl2(NH(CH3)2)2NB(C6F5)3)- 0.5(CH2Cl2)
• Formula: C30.5 H41 B Cl4 F15 N7 Ti2
• Calculated formula: C30.5 H40 B Cl4 F15 N7 Ti2
• Title of publication: Mononuclear Ti[triple bond, length as m-dash]N complexes formed by the facile multiple deprotonation of H(3)N.B(C(6)F(5))(3): the importance of chloride ligands.
• Authors of publication: Fuller, Anna-Marie; Clegg, William; Harrington, Ross W; Hughes, David L; Lancaster, Simon J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5776 - 5778
• a: 10.756 ± 0.013 Å
• b: 13.228 ± 0.016 Å
• c: 16.627 ± 0.019 Å
• α: 77.136 ± 0.013°
• β: 72.104 ± 0.013°
• γ: 82.074 ± 0.013°
• Cell volume: 2189 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.6393 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No