Information card for entry 7131921

Structure parameters

• Formula: C36 H52 Cl2 Nd2
• Calculated formula: C36 H52 Cl2 Nd2
• Title of publication: Photocatalytic dechlorination of unactivated chlorocarbons including PVC using organolanthanide complexes
• Authors of publication: Kynman, Amy E.; Christodoulou, Stella; Ouellette, Erik T.; Peterson, Appie; Kelly, Sheridon; Maron, Laurent; Arnold, Polly Louise
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 8.504 ± 0.013 Å
• b: 10.398 ± 0.014 Å
• c: 19.24 ± 0.03 Å
• α: 90°
• β: 91.801 ± 0.008°
• γ: 90°
• Cell volume: 1700 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No