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Information card for entry 4072171
Preview
| Coordinates | 4072171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H96 B20 Cl4 K2 O8 Y2 |
|---|---|
| Calculated formula | C54 H96 B20 Cl4 K2 O8 Y2 |
| SMILES | [BH]1234[C]5678[BH]9%10%11[BH]%12%135[C]516([Y]16%14([O]%15CCCC%15)([c]%157c7ccccc7[cH]1[cH]6%15)([Cl][K]([Cl]%14)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[BH]16%12[BH]735[BH]354[BH]289[BH]2%103[BH]%11%131[BH]6752 |
| Title of publication | Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2− |
| Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5309 |
| a | 10.3117 ± 0.0009 Å |
| b | 15.4772 ± 0.0013 Å |
| c | 16.0368 ± 0.0014 Å |
| α | 61.719 ± 0.001° |
| β | 76.49 ± 0.001° |
| γ | 73.435 ± 0.001° |
| Cell volume | 2145.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1204 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.2709 |
| Weighted residual factors for all reflections included in the refinement | 0.3005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072171.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072171.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072171.cif |
| 44270 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072170, 4072171, 4072172, 4072173 via cif-deposit CGI script. |
4072171.cif |
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Users of the data should acknowledge the original authors of the
structural data.