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Information card for entry 1546878
Preview
Coordinates | 1546878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H58 Er2 N4 Ni2 O22 |
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Calculated formula | C48 H58 Er2 N4 Ni2 O22 |
SMILES | [Er]123456([O]7[Ni]89([O]1c1c(C=[N]9CC(O)C[N]8=Cc8c7c([O]3C)ccc8)cccc1[O]2C)([OH]CC)[O]=C1[O]5[Er]2357([O](C)c8c9[O]2[Ni]2%10([O]3c3c(C=[N]%10CC(O)C[N]2=Cc9ccc8)cccc3[O]5C)([O]=C([O]47)O6)[OH]CC)(O1)OC(=O)C)OC(=O)C |
Title of publication | Three series of heterometallic Ni <sup>II</sup> –Ln <sup>III</sup> Schiff base complexes: synthesis, crystal structures and magnetic characterization |
Authors of publication | Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 37 |
Pages of publication | 12558 - 12573 |
a | 12.8413 ± 0.0003 Å |
b | 14.1659 ± 0.0005 Å |
c | 17.3158 ± 0.0005 Å |
α | 90° |
β | 92.402 ± 0.002° |
γ | 90° |
Cell volume | 3147.12 ± 0.16 Å3 |
Cell temperature | 128.55 ± 0.1 K |
Ambient diffraction temperature | 128.55 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0308 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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