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Information card for entry 1559989
Preview
| Coordinates | 1559989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Yb2-K2-biph |
|---|---|
| Formula | C64 H106 Fe2 K2 N4 O2 Si4 Yb2 |
| Calculated formula | C64 H106 Fe2 K2 N4 O2 Si4 Yb2 |
| SMILES | c1cc(ccc1)c2ccccc2.[Yb]1[N]([K][O](CC)CC)([c]23[cH]4[cH]5[cH]6[cH]3[Fe]37892456[cH]2[c]7(N1[Si](C)(C)C(C)(C)C)[cH]9[cH]8[cH]32)[Si](C)(C)C(C)(C)C.[Yb]1[N]([K][O](CC)CC)([c]23[cH]4[cH]5[Fe]6789%1034([cH]2[cH]5%10)[cH]2[c]9(N1[Si](C)(C)C(C)(C)C)[cH]8[cH]7[cH]62)[Si](C)(C)C(C)(C)C |
| Title of publication | Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. |
| Authors of publication | Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 227 - 238 |
| a | 13.2467 ± 0.0016 Å |
| b | 18.78 ± 0.002 Å |
| c | 14.5436 ± 0.0017 Å |
| α | 90° |
| β | 100.579 ± 0.001° |
| γ | 90° |
| Cell volume | 3556.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267046 (current) | 2021-07-05 | cif/ Updating files of 1559984, 1559985, 1559986, 1559987, 1559988, 1559989, 1559990 Original log message: Adding full bibliography for 1559984--1559990.cif. |
1559989.cif |
| 260843 | 2021-01-08 | cif/ Adding structures of 1559984, 1559985, 1559986, 1559987, 1559988, 1559989, 1559990 via cif-deposit CGI script. |
1559989.cif |
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