Information card for entry 7710832

Structure parameters

• Formula: C56 H77 Lu N6
• Calculated formula: C56 H77 Lu N6
• SMILES: [Lu]123(Cc4ccccc4[N]1(C)C)([N](C(C)C)=C(C)N2C(C)C)[N](c1c(cccc1C(C)C)C(C)C)=C(N3c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH
• Authors of publication: Jiang, Wen; Zhang, Lijun; Zhang, Lixin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.2506 ± 0.0014 Å
• b: 12.2916 ± 0.0017 Å
• c: 22.231 ± 0.003 Å
• α: 80.511 ± 0.002°
• β: 77.101 ± 0.002°
• γ: 69.932 ± 0.002°
• Cell volume: 2552.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No