Information card for entry 7110625

Structure parameters

• Chemical name: Dodecakis(N,N-diisopropylcarbamato)tetraholmium(iii)
• Formula: C98 H200 Ho4 N12 O24
• Calculated formula: C98 H168 Ho4 N12 O24
• SMILES: N(C1[O]2[Ho]3456([O]=C(N(C(C)C)C(C)C)O5)[O]5C(N(C(C)C)C(C)C)=[O][Ho]789([O]=C(N(C(C)C)C(C)C)O9)([O](C(N(C(C)C)C(C)C)=[O]6)[Ho]69([O]=C(N(C(C)C)C(C)C)O9)([O]=1)([O]7C(N(C(C)C)C(C)C)=[O][Ho]125([O]=C(N(C(C)C)C(C)C)O1)([O]=C(N(C(C)C)C(C)C)O3)[O]=C(N(C(C)C)C(C)C)O6)[O]=C(N(C(C)C)C(C)C)O8)[O]=C(O4)N(C(C)C)C(C)C)(C(C)C)C(C)C.C(CC)CCCC.CCCCCCC
• Title of publication: Isotypical N,N-dialkylcarbamato lanthanide complexes covering a range of 11 atomic numbers: direct experimental assessment of the lanthanide contraction in trivalent molecular compounds
• Authors of publication: Abram, Ulrich; Dell’Amico, Daniela Belli; Calderazzo, Fausto; Porta, Cinzia Della; Merigo, Alessandra; Englert, Ulli; Marchetti, Fabio
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 2053
• a: 29.13 ± 0.002 Å
• b: 19.844 ± 0.002 Å
• c: 23.131 ± 0.001 Å
• α: 90°
• β: 107.24 ± 0.01°
• γ: 90°
• Cell volume: 12770.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No