Information card for entry 4339776

Structure parameters

• Formula: C138 H210 Ba3 N6 O8
• Calculated formula: C138 H210 Ba3 N6 O8
• Title of publication: Synthesis and structure of a molecular barium Aminebis(phenolate) and its application as an initiator for ring-opening polymerization of cyclic esters.
• Authors of publication: Davidson, Matthew G.; O'Hara, Charles T; Jones, Matthew D.; Keir, Callum G.; Mahon, Mary F.; Kociok-Köhn, Gabriele
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7686 - 7688
• a: 22.909 ± 0.0004 Å
• b: 28.644 ± 0.0005 Å
• c: 21.764 ± 0.0006 Å
• α: 90°
• β: 105.005 ± 0.001°
• γ: 90°
• Cell volume: 13794.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No