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Information card for entry 7040569
Preview
Coordinates | 7040569.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H33 N8 O12 Tb |
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Calculated formula | C25 H33 N8 O12 Tb |
SMILES | [Tb]123456([O]7CC[N]3(Cc3[n]2c(C[N]4(CC[O]1CC7)Cc1[n]6cccc1)ccc3)Cc1[n]5cccc1)([OH2])ON(=O)=O.O=N(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour. |
Authors of publication | Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 15114 - 15121 |
a | 11.4208 ± 0.0004 Å |
b | 11.4208 ± 0.0004 Å |
c | 22.4435 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2927.4 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0138 |
Residual factor for significantly intense reflections | 0.0127 |
Weighted residual factors for significantly intense reflections | 0.0311 |
Weighted residual factors for all reflections included in the refinement | 0.0315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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