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Information card for entry 4308993
Preview
| Coordinates | 4308993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H64 B4 Zr |
|---|---|
| Calculated formula | C32 H64 B4 Zr |
| SMILES | [Zr]1234([H][B]5(C6CCCC5CCC6)[H]1)([H][B]1(C5CCCC1CCC5)[H]2)([H][B]1(C2CCCC1CCC2)[H]3)[H][B]1(C2CCCC1CCC2)[H]4 |
| Title of publication | Synthesis and X-ray and Neutron Structures of Zr{(μ-H)2BC8H14}4 |
| Authors of publication | Ding, Errun; Du, Bin; Meyers, Edward A.; Shore, Sheldon G.; Yousufuddin, Muhammed; Bau, Robert; McIntyre, Garry J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 2459 - 2464 |
| a | 11.247 ± 0.001 Å |
| b | 11.389 ± 0.001 Å |
| c | 12.898 ± 0.001 Å |
| α | 92.65 ± 0.01° |
| β | 96.55 ± 0.01° |
| γ | 91.8 ± 0.01° |
| Cell volume | 1638.5 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1637 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.9 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210283 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4308993, 4331478. Marking entry 4331478 as a duplicate of entry 4308993. |
4308993.cif |
| 179127 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89. |
4308993.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308993.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308993.cif |
| 30725 | 2011-11-21 | cif/4 Fixing a compound where hydrogen was regarded as ytrium (?) |
4308993.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308993.cif |
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