Information card for entry 7720806

Structure parameters

• Chemical name: MH3-017-ErCl
• Formula: C18 H18 Cl3 Er N4
• Calculated formula: C18 H18 Cl3 Er N4
• Title of publication: Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes.
• Authors of publication: González, Jonay; Fagundes, Vinicius K.; Hay, Moya A.; Dallerba, Elena; Massi, Massimiliano; Hall, Christopher R.; Giansiracusa, Marcus J.; Boskovic, Colette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1792 - 1805
• a: 8.581 ± 0.0001 Å
• b: 16.1558 ± 0.0001 Å
• c: 14.6367 ± 0.0001 Å
• α: 90°
• β: 104.374 ± 0.001°
• γ: 90°
• Cell volume: 1965.61 ± 0.03 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0232
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No