Information card for entry 1570821

Structure parameters

• Formula: C44 H69 B Ho N7
• Calculated formula: C44 H69 B Ho N7
• SMILES: c1(cc(C)n2[n]1[Ho]1(C)([n]3c(cc(C)n3[BH]2n2c(cc(C(C)(C)C)[n]12)C)C(C)(C)C)Nc1c(cccc1C(C)C)C(C)C)C(C)(C)C.c1(ccccc1)C
• Title of publication: Terminal dysprosium and holmium organoimides.
• Authors of publication: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 3562 - 3570
• a: 10.767 ± 0.005 Å
• b: 12.621 ± 0.006 Å
• c: 17.188 ± 0.009 Å
• α: 77.029 ± 0.013°
• β: 81.681 ± 0.016°
• γ: 88.061 ± 0.009°
• Cell volume: 2252.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No