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Information card for entry 4071582
Preview
| Coordinates | 4071582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H46 B2 N4 Yb |
|---|---|
| Calculated formula | C50 H46 B2 N4 Yb |
| SMILES | [Yb]123456789%10%11([N](=C(C(=[N]1c1ccccc1)C)C)c1ccccc1)([CH]1=[B]%10(N(c%10ccccc%10)c%10ccccc%10)[CH]5=[CH]4[CH]3=[CH]21)[CH]1=[B]%11(N(c2ccccc2)c2ccccc2)[CH]9=[CH]8[CH]7=[CH]61 |
| Title of publication | Divalent Ytterbium Boratabenzene Complex (C5H5BNPh2)2Yb(THF)2: Synthesis, Structure, and Solvent-Mediated Redox Transformation |
| Authors of publication | Cui, Peng; Chen, Yaofeng; Wang, Guoping; Li, Guangyu; Xia, Wei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 4013 |
| a | 10.8679 ± 0.0017 Å |
| b | 13.486 ± 0.002 Å |
| c | 14.778 ± 0.002 Å |
| α | 100.474 ± 0.003° |
| β | 97.923 ± 0.002° |
| γ | 95.89 ± 0.003° |
| Cell volume | 2091.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071582.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071582.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071582.cif |
| 43923 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071581, 4071582 via cif-deposit CGI script. |
4071582.cif |
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Users of the data should acknowledge the original authors of the
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