Information card for entry 7061155

Structure parameters

• Formula: C78 H100 K2 N6 O4
• Calculated formula: C78 H100 K2 N6 O4
• 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: 32.8979 ± 0.0017 Å
• b: 11.7923 ± 0.0007 Å
• c: 19.9051 ± 0.0012 Å
• α: 90°
• β: 105.143 ± 0.002°
• γ: 90°
• Cell volume: 7453.9 ± 0.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No