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Information card for entry 4072771
Preview
| Coordinates | 4072771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cp*Os(PCy3)H4][BF4] |
|---|---|
| Formula | C28 H52 B F4 Os P |
| Calculated formula | C28 H52 B F4 Os P |
| SMILES | [OsH2]12345([H][H]1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis and NMR Studies of [(C5Me5)Os(L)H2(H2)+] Complexes. Evidence of the Adoption of Different Structures by a Dihydrogen Complex in Solution and the Solid State |
| Authors of publication | Gross, Christopher L.; Girolami, Gregory S. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1658 |
| a | 8.9295 ± 0.0002 Å |
| b | 9.7179 ± 0.0001 Å |
| c | 17.1819 ± 0.0001 Å |
| α | 94.114 ± 0.001° |
| β | 90.034 ± 0.001° |
| γ | 101.369 ± 0.001° |
| Cell volume | 1457.79 ± 0.04 Å3 |
| Cell temperature | 199 ± 2 K |
| Ambient diffraction temperature | 199 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209531 (current) | 2018-08-10 | cif/4/ Removing duplicate rows from the ATOM_TYPE loop in entries 4027882, 4063366, 4072663, 4072770, 4072771, 4074460, 4075100, 4076241, 4076242, 4076244, 4077512, 4080938, 4081765, 4082054, 4082696, 4084845, 4101406, 4101407, 4101408, 4107704, 4108487, 4109677. |
4072771.cif |
| 178616 | 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 4/07/27. |
4072771.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072771.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072771.cif |
| 45991 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072771 via cif-deposit CGI script. |
4072771.cif |
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Users of the data should acknowledge the original authors of the
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