Information card for entry 7023069

Structure parameters

• Common name: Chisholm 1919
• Formula: C76 H112 Bi2 Cl10 N4 O4
• Calculated formula: C76 H112 Bi2 Cl10 N4 O4
• SMILES: c12c(cc(cc2C=[N]2[Bi]3(O1)Oc1c(C(C)(C)C)cc(cc1C=[N]3[C@@H]1[C@@H]2CCCC1)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl.[Cl-].c12c(cc(cc2C=[N]2[Bi]3(O1)Oc1c(C(C)(C)C)cc(cc1C=[N]3[C@H]1[C@H]2CCCC1)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl.[Cl-]
• Title of publication: Single-site bismuth alkoxide catalysts for the ring-opening polymerization of lactide.
• Authors of publication: Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11234 - 11241
• a: 15.2904 ± 0.0005 Å
• b: 10.4994 ± 0.0003 Å
• c: 27.3011 ± 0.0008 Å
• α: 90°
• β: 103.756 ± 0.001°
• γ: 90°
• Cell volume: 4257.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No