Information card for entry 7219093

Structure parameters

• Formula: C88 H148 N6 Nd2 O9 Si4
• Calculated formula: C88 H124 N6 Nd2 O9 Si4
• Title of publication: Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides
• Authors of publication: Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 1675
• a: 13.883 ± 0.003 Å
• b: 14.024 ± 0.003 Å
• c: 15.361 ± 0.004 Å
• α: 109.019 ± 0.003°
• β: 106.371 ± 0.002°
• γ: 98.531 ± 0.004°
• Cell volume: 2616 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No