Information card for entry 7061154

Structure parameters

• Formula: C47 H66 Cl2 N3 O4 Y
• Calculated formula: C47 H66 Cl2 N3 O4 Y
• Title of publication: Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand
• Authors of publication: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2465 - 2471
• a: 11.362 ± 0.002 Å
• b: 13.161 ± 0.003 Å
• c: 17.005 ± 0.003 Å
• α: 93.03 ± 0.03°
• β: 95.98 ± 0.03°
• γ: 110.98 ± 0.03°
• Cell volume: 2350.2 ± 1 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0796
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No