Information card for entry 7063640

Structure parameters

• Formula: C18 H27 Ga N5 O9.5
• Calculated formula: C18 H24 Ga N5 O8
• Title of publication: Di- and tri-valent metal complexes with tris-amide-functionalised 1,4,7-triazacyclononane chelators
• Authors of publication: O’Callaghan, Charley; Greenacre, Victoria K.; Reid, Gillian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 4061 - 4071
• a: 8.759 ± 0.0005 Å
• b: 20.1534 ± 0.0014 Å
• c: 12.8678 ± 0.0006 Å
• α: 90°
• β: 108.467 ± 0.006°
• γ: 90°
• Cell volume: 2154.5 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0856
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0413
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No