Information card for entry 7718894

Structure parameters

• Formula: C27 H40 Cl7 Ho3 N3 O15
• Calculated formula: C27 H36 Cl4 Ho3 N3 O13
• Title of publication: Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states.
• Authors of publication: Mangundu, Patrick; Tanner, Kate E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10455 - 10466
• a: 10.789 ± 0.0002 Å
• b: 13.8732 ± 0.0002 Å
• c: 16.9814 ± 0.0004 Å
• α: 106.212 ± 0.002°
• β: 100.122 ± 0.002°
• γ: 102.811 ± 0.002°
• Cell volume: 2301.98 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0355
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No