Information card for entry 7002616

Structure parameters

• Common name: Chisholm 1494a
• Formula: C35 H54.2 N2 O0.105
• Calculated formula: C35 H54 N2 O0.105
• Title of publication: Chemistry of BDI*M(2+) complexes (M = Mg, Zn) and their role in lactide polymerization where BDI* is the anion derived from methylenebis(C-tBu, N-2,6-diisopropylphenyl)imine BDI*H
• Authors of publication: Ayala, Carla N.; Chisholm, Malcolm H.; Gallucci, Judith C.; Krempner, Clemens
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9237
• a: 15.5478 ± 0.0002 Å
• b: 9.7599 ± 0.0001 Å
• c: 22.1039 ± 0.0003 Å
• α: 90°
• β: 106.18 ± 0.001°
• γ: 90°
• Cell volume: 3221.3 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No