Information card for entry 7110847

Structure parameters

• Common name: Complex 1
• Formula: C21 H35 B N4 Ti
• Calculated formula: C21 H35 B N4 Ti
• SMILES: [Ti]12345(N(c6ccccc6)B(N(C(C)C)C(C)C)[c]61[cH]2[cH]3[cH]4[cH]56)(N(C)C)N(C)C
• Title of publication: Synthesis and structure of the first boron-bridged constrained geometry complexes
• Authors of publication: Braunschweig, Holger; Koblinski, Carsten von; Englert, Ulli
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1049
• a: 9.464 ± 0.006 Å
• b: 9.754 ± 0.004 Å
• c: 13.596 ± 0.004 Å
• α: 101.94 ± 0.02°
• β: 102.32 ± 0.04°
• γ: 103.37 ± 0.04°
• Cell volume: 1148.8 ± 1 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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: 0.0578
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No