Information card for entry 7013872

Structure parameters

• Formula: C17 H27 B Cl2 N2 Si2 Ti
• Calculated formula: C17 H27 B Cl2 N2 Si2 Ti
• SMILES: [Ti]12345(Cl)(Cl)N(B(N([Si](C)(C)C)[Si](C)(C)C)[c]62[cH]3[cH]4[cH]5[cH]61)c1ccccc1
• Title of publication: Synthesis and structure of boron-bridged constrained geometry complexes of titanium.
• Authors of publication: Braunschweig, Holger; Breitling, Frank M.; von Koblinski, Carsten; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 938 - 943
• a: 7.1231 ± 0.0011 Å
• b: 19.0371 ± 0.001 Å
• c: 17.219 ± 0.002 Å
• α: 90°
• β: 97.423 ± 0.014°
• γ: 90°
• Cell volume: 2315.4 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.1255
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No