Information card for entry 7715896

Structure parameters

• Formula: C33 H33 Co F6 La N4 O12 S2
• Calculated formula: C33 H33 Co F6 La N4 O12 S2
• SMILES: [La]12345([O]6[Co]789%10[O]1c1c(C=[N]%10CC(C)(C[N]9=Cc9cccc([O]4C)c9[O]38)C[N]7=Cc3cccc([O]5C)c36)cccc1[O]2C)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[N]#CC
• Title of publication: Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.
• Authors of publication: Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9921 - 9932
• a: 13.4835 ± 0.0001 Å
• b: 12.9504 ± 0.0001 Å
• c: 22.0541 ± 0.0002 Å
• α: 90°
• β: 93.32 ± 0.001°
• γ: 90°
• Cell volume: 3844.55 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0503
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No