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Information card for entry 4065898
Preview
| Coordinates | 4065898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H90 B6 Zr4 |
|---|---|
| Calculated formula | C40 H90 B6 Zr4 |
| SMILES | [B]123[H][Zr]456789%10([H]2)([H][BH2][H]6)([c]2([c]%10([c]9([c]8([c]72C)C)C)C)C)[H][Zr]26789%10([H][BH2][H]%10)([H]4)([H]5)([c]4([c]2([c]6([c]8([c]94C)C)C)C)C)[H][B]([H]2)([H][Zr]45689%10%112([H][BH2][H]%10)([c]2([c]4([c]5([c]6([c]%112C)C)C)C)C)[H][Zr]2456%10([H]3)([H]1)([H][BH2][H]%10)([H]8)([H]9)[c]1([c]2([c]4([c]5([c]61C)C)C)C)C)[H]7 |
| Title of publication | Syntheses and Structures of Zirconium Tetranuclear Polyhydrides |
| Authors of publication | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2685 |
| a | 16.4209 ± 0.0011 Å |
| b | 9.4093 ± 0.0006 Å |
| c | 16.7948 ± 0.0011 Å |
| α | 90° |
| β | 102.662 ± 0.002° |
| γ | 90° |
| Cell volume | 2531.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0808 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178551 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/58. |
4065898.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065898.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065898.cif |
| 33721 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065894, 4065895, 4065896, 4065897, 4065898, 4065899 via cif-deposit CGI script. |
4065898.cif |
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Users of the data should acknowledge the original authors of the
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