Information card for entry 7228438

Structure parameters

• Formula: C71 H82 N7 S2 Y
• Calculated formula: C71 H82 N7 S2 Y
• SMILES: C1(N(Cc2ccccc2)Cc2ccccc2)=[N](c2c(cccc2C(C)C)C(C)C)[Y]23([N](=C(S2)Cc2ccccc2N(C)C)c2ccccc2)(N1c1c(cccc1C(C)C)C(C)C)[N](=C(S3)Cc1ccccc1N(C)C)c1ccccc1
• Title of publication: Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes
• Authors of publication: Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 47
• Pages of publication: 29752
• a: 13.05 ± 0.002 Å
• b: 26.302 ± 0.005 Å
• c: 19.537 ± 0.004 Å
• α: 90°
• β: 104.17 ± 0.003°
• γ: 90°
• Cell volume: 6502 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No