Information card for entry 7228435

Structure parameters

• Formula: C71 H82 Lu N7 S2
• Calculated formula: C71 H82 Lu N7 S2
• SMILES: [Lu]123(SC(=[N]2c2ccccc2)Cc2ccccc2N(C)C)(SC(=[N]3c2ccccc2)Cc2ccccc2N(C)C)[N](=C(N(Cc2ccccc2)Cc2ccccc2)N1c1c(cccc1C(C)C)C(C)C)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: 10.95 ± 0.004 Å
• b: 14.31 ± 0.005 Å
• c: 22.145 ± 0.007 Å
• α: 106.075 ± 0.004°
• β: 93.766 ± 0.004°
• γ: 98.308 ± 0.004°
• Cell volume: 3279 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No