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Information card for entry 4065899
Preview
| Coordinates | 4065899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H92 B4 Zr4 |
|---|---|
| Calculated formula | C47 H92 B4 Zr4 |
| SMILES | [Zr]12345678([H][Zr]9%10%11%12%13%14%15([H][Zr]%16%17%18%19%20([H][Zr]%21%22%23%24%25([H]1)([H]2)([H]3)([H][BH2][H]%21)[c]1([c]%22([c]%23([c]%24([c]%251C)C)C)C)C)([H]%10)([H]%11)([H][BH2][H]%16)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)([H][BH2][H]9)[c]1([c]%14([c]%15([c]%12([c]%131C)C)C)C)C)([H][BH2][H]4)[c]1([c]5([c]8([c]7([c]61C)C)C)C)C.c1(ccccc1)C |
| 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 | 15.967 ± 0.0014 Å |
| b | 16.757 ± 0.0015 Å |
| c | 22.094 ± 0.002 Å |
| α | 108.383 ± 0.002° |
| β | 106.342 ± 0.002° |
| γ | 90.385 ± 0.002° |
| Cell volume | 5353.5 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
4065899.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065899.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065899.cif |
| 33721 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065894, 4065895, 4065896, 4065897, 4065898, 4065899 via cif-deposit CGI script. |
4065899.cif |
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Users of the data should acknowledge the original authors of the
structural data.