Information card for entry 7013873

Structure parameters

• Formula: C25 H37 B N4 Ti
• Calculated formula: C25 H37 B N4 Ti
• SMILES: [Ti]12345(N(c6ccccc6)B(N(C(C)C)C(C)C)[c]62[cH]3[cH]4[c]25cccc[c]612)(N(C)C)N(C)C
• 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: 9.6645 ± 0.001 Å
• b: 9.8449 ± 0.0013 Å
• c: 13.8532 ± 0.0014 Å
• α: 88.386 ± 0.01°
• β: 80.406 ± 0.008°
• γ: 75.145 ± 0.009°
• Cell volume: 1256.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.1318
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No