Information card for entry 4310120

Structure parameters

• Formula: C100 H128 Cl2 La2 N6 O4
• Calculated formula: C100 H128 Cl2 La2 N6 O4
• Title of publication: Lanthanide Borohydride Complexes Supported by Diaminobis(phenoxide) Ligands for the Polymerization of ε-Caprolactone and l- and rac-Lactide
• Authors of publication: Fanny Bonnet; Andrew R. Cowley; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9046 - 9055
• a: 14.4266 ± 0.0002 Å
• b: 17.2972 ± 0.0002 Å
• c: 22.1531 ± 0.0002 Å
• α: 105.762 ± 0.0003°
• β: 106.512 ± 0.0004°
• γ: 90.6879 ± 0.0003°
• Cell volume: 5076.9 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No