Information card for entry 1570347

Structure parameters

• Formula: C28 H44 Cl2 Ga N5
• Calculated formula: C28 H44 Cl2 Ga N5
• Title of publication: Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates.
• Authors of publication: Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 13944 - 13950
• a: 12.1606 ± 0.0003 Å
• b: 15.186 ± 0.0004 Å
• c: 16.3042 ± 0.0004 Å
• α: 90°
• β: 90.497 ± 0.0013°
• γ: 90°
• Cell volume: 3010.8 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No