Information card for entry 7129071

Structure parameters

• Formula: C25 H31 F4 I2 N2 Nd O3
• Calculated formula: C25 H31 F4 I2 N2 Nd O3
• SMILES: [Nd]1(I)(I)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)N(C=[N]1c1c(F)cccc1F)c1c(F)cccc1F
• Title of publication: A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.
• Authors of publication: Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 87
• Pages of publication: 11513 - 11516
• a: 12.8662 ± 0.0009 Å
• b: 9.495 ± 0.0006 Å
• c: 23.738 ± 0.0016 Å
• α: 90°
• β: 91.727 ± 0.003°
• γ: 90°
• Cell volume: 2898.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No