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Information card for entry 4072913
Preview
| Coordinates | 4072913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H76 N5 Na2 O2 U2 |
|---|---|
| Calculated formula | C53 H76 N5 Na2 O2 U2 |
| SMILES | [U]12345678([N]#C[U]9%10%11%12%13%14%15%16(C#N)(C#N)([c]%17([c]9([c]%10([c]%11([c]%12%17C)C)C)C)C)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)(C#N)(C#N)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[Na+].[Na+].O1CCCC1.O1CCCC1 |
| Title of publication | Cyanide Metallocenes of Trivalent f-Elements |
| Authors of publication | Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 2623 - 2629 |
| a | 35.8003 ± 0.0015 Å |
| b | 12.2794 ± 0.0005 Å |
| c | 27.5754 ± 0.0013 Å |
| α | 90° |
| β | 106.107 ± 0.003° |
| γ | 90° |
| Cell volume | 11646.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (current) | 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 4/07/29. |
4072913.cif |
| 132294 | 2015-02-22 | cif/4/07/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 4072912, 4072913, 4072914. |
4072913.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072913.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072913.cif |
| 46070 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072912, 4072913, 4072914 via cif-deposit CGI script. |
4072913.cif |
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Users of the data should acknowledge the original authors of the
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