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Information card for entry 7052720
Preview
| Coordinates | 7052720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H126 P4 Si4 U2 |
|---|---|
| Calculated formula | C72 H126 P4 Si4 U2 |
| SMILES | [U]123456789%10%11%12([CH]%13=[CH]2[C]3(=[CH]4[CH]5=[CH]6[CH]7=[C]8%13[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]2([c]9([c]%10([c]%11([c]2%12C)C)C)C)C)P2P1P1[U]3456789%10%11%12%13(P21)([CH]1=[CH]9[C]3(=[CH]4[CH]5=[CH]6[CH]7=[C]81[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]1([c]%13([c]%10([c]%11([c]1%12C)C)C)C)C) |
| Title of publication | Activation of P4 by U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)(THF); the X-ray structure of [U(η5-C5Me5)(η8-C8H6(SiiPr3)2-1,4)]2(μ-η2:η2-P4) |
| Authors of publication | Frey, Alistair S. P.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Green, Jennifer C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 2022 |
| a | 15.0558 ± 0.0004 Å |
| b | 20.5033 ± 0.0004 Å |
| c | 13.3843 ± 0.0003 Å |
| α | 90° |
| β | 111.011 ± 0.001° |
| γ | 90° |
| Cell volume | 3856.94 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052720.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052720.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052720.cif |
| 28136 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052720 via cif-deposit CGI script. |
7052720.cif |
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Users of the data should acknowledge the original authors of the
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