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Information card for entry 4122215
Preview
| Coordinates | 4122215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H74 I N13 O2 U2 |
|---|---|
| Calculated formula | C83 H74 I N13 O2 U2 |
| SMILES | C1c2ccc3C(CC)(CC)c4ccc5C=[N]6c7cccc8cc9cccc(c9cc78)[N]7=Cc8ccc9C(CC)(CC)c%10ccc%11C=[N]%12c%13cccc%14cc%15cccc(c%15cc%13%14)[N]=1[U]6(n23)(n45)([n]1ccccc1)(I)O[U]7%12(n89)(n%10%11)([n]1ccccc1)O.c1ccccn1.c1ccccn1.c1ccccn1 |
| Title of publication | New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2]. |
| Authors of publication | Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 29 |
| Pages of publication | 10218 - 10221 |
| a | 11.0751 ± 0.0002 Å |
| b | 15.0152 ± 0.0003 Å |
| c | 24.1321 ± 0.0005 Å |
| α | 87.395 ± 0.002° |
| β | 84.766 ± 0.002° |
| γ | 69.187 ± 0.002° |
| Cell volume | 3735.17 ± 0.14 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179024 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/22. |
4122215.cif |
| 121275 | 2014-08-05 | cif/ Updating files of 4122212, 4122213, 4122214, 4122215 Original log message: Adding full bibliography for 4122212--4122215.cif. |
4122215.cif |
| 119919 | 2014-07-10 | cif/ Adding structures of 4122212, 4122213, 4122214, 4122215 via cif-deposit CGI script. |
4122215.cif |
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