Information card for entry 7061553

Structure parameters

• Chemical name: bis(N,N'-bis(2,6-diisopropylphenyl)formamidinato-chloro-bis(tetrahydrofuran)-neodimium(iii) di-tetrahydrofuran solvate
• Formula: C66 H102 Cl N4 Nd O4
• Calculated formula: C66 H102 Cl N4 Nd O4
• SMILES: [Nd]12(Cl)([O]3CCCC3)([O]3CCCC3)(N(c3c(cccc3C(C)C)C(C)C)C=[N]1c1c(C(C)C)cccc1C(C)C)N(C=[N]2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.O1CCCC1.O1CCCC1
• Title of publication: On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)
• Authors of publication: Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 11994 - 12001
• a: 10.7849 ± 0.0005 Å
• b: 27.0152 ± 0.0013 Å
• c: 21.9212 ± 0.001 Å
• α: 90°
• β: 94.847 ± 0.001°
• γ: 90°
• Cell volume: 6364 ± 0.5 ų
• Cell temperature: 150 ± 4 K
• Ambient diffraction temperature: 150 ± 4 K
• Number of distinct elements: 6
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No