Information card for entry 7228437

Structure parameters

• Formula: C114 H144 N10 S4 Y2
• Calculated formula: C114 H144 N10 S4 Y2
• SMILES: [Y]1234([S](Cc5c(N(C)C)cccc5)[Y]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)[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: 15.488 ± 0.002 Å
• b: 23.909 ± 0.003 Å
• c: 31.418 ± 0.004 Å
• α: 90°
• β: 98.781 ± 0.002°
• γ: 90°
• Cell volume: 11498 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No