Information card for entry 1569306

Structure parameters

• Formula: C100 H131.24 Ce2 Cl4 K2 N4 O5
• Calculated formula: C100 H131.24 Ce2 Cl4 K2 N4 O5
• Title of publication: Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i>⁶-arene interactions.
• Authors of publication: Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 7438 - 7446
• a: 13.3524 ± 0.0004 Å
• b: 16.9877 ± 0.0005 Å
• c: 25.6828 ± 0.0008 Å
• α: 90°
• β: 90.93 ± 0.001°
• γ: 90°
• Cell volume: 5824.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No