Information card for entry 7710718

Structure parameters

• Formula: C60 H48 Ce Cl3 O4 P4
• Calculated formula: C60 H48 Ce Cl3 O4 P4
• SMILES: [Ce]12(Cl)(Cl)(Cl)([O]=P(c3c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)[O]=P(c1c(P(=[O]2)(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Slow magnetic relaxation of mononuclear complexes based on uncommon Kramers lanthanide ions CeIII, SmIII and YbIII
• Authors of publication: Leng, Ji-Dong; Hua, Qiu-Yan; Liu, Wen-Ting; Tao, Ze-Xian; Tan, Nai-Wen; Wang, Yu-Fei; Lin, Wei-Quan
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.3216 ± 0.0001 Å
• b: 12.4712 ± 0.0002 Å
• c: 22.4085 ± 0.0002 Å
• α: 98.446 ± 0.001°
• β: 94.308 ± 0.001°
• γ: 114.766 ± 0.001°
• Cell volume: 2808.71 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No