Information card for entry 7715894

Structure parameters

• Formula: C33 H33 F6 La Mn N4 O12 S2
• Calculated formula: C33 H33 F6 La Mn N4 O12 S2
• SMILES: [La]123456([O]7[Mn]89%10%11[O]1c1c(C=[N]%11CC(C)(C[N]8=Cc8cccc([O]4C)c78)C[N]9=Cc4cccc([O]6C)c4[O]5%10)cccc1[O]2C)(OS(=[O]3)(=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: 16.0537 ± 0.0002 Å
• b: 13.0153 ± 0.0002 Å
• c: 19.075 ± 0.0002 Å
• α: 90°
• β: 99.748 ± 0.001°
• γ: 90°
• Cell volume: 3928.06 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.15 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: 0.0392
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0491
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No