Information card for entry 7715412

Structure parameters

• Formula: C98 H88 N2 O6 Pr Si4
• Calculated formula: C98 H88 N2 O6 Pr Si4
• SMILES: [Pr]1(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccc(OC)cc2c2[n]1ccc(OC)c2.c1ccc(cc1)C.c1cc(ccc1)C
• Title of publication: A tetravalent praseodymium complex with field-induced slow magnetic relaxation.
• Authors of publication: Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5779 - 5783
• a: 19.0038 ± 0.0011 Å
• b: 18.2175 ± 0.0009 Å
• c: 24.5942 ± 0.0012 Å
• α: 90°
• β: 102.266 ± 0.002°
• γ: 90°
• Cell volume: 8320.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No