Information card for entry 1575797

Structure parameters

• Formula: C19 H19 Br N2
• Calculated formula: C19 H19 Br N2
• Title of publication: Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.
• Authors of publication: Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14937 - 14946
• a: 11.1141 ± 0.0002 Å
• b: 12.0398 ± 0.0003 Å
• c: 12.4524 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.27 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No