Information card for entry 7228439

Structure parameters

• Formula: C114 H144 Lu2 N10 S4
• Calculated formula: C114 H144 Lu2 N10 S4
• SMILES: [Lu]1234([S]([Lu]5([S]1Cc1c(N(C)C)cccc1)([S]2Cc1c(N(C)C)cccc1)([S]3Cc1c(N(C)C)cccc1)[N](=C(N5c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)Cc1c(N(C)C)cccc1)[N](=C(N4c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 14.1932 ± 0.0016 Å
• b: 15.3802 ± 0.0018 Å
• c: 30.149 ± 0.004 Å
• α: 94.987 ± 0.002°
• β: 92.195 ± 0.002°
• γ: 116.551 ± 0.001°
• Cell volume: 5843 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No