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Information card for entry 7015606
Preview
| Coordinates | 7015606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H44 Cu2 Fe8 N4 O24 |
|---|---|
| Calculated formula | C46 H44 Cu2 Fe8 N4 O24 |
| SMILES | [C]1234[Cu]5678(C(=O)[Fe]936(C#[O])(C#[O])[Fe]315(C#[O])(C#[O])([Fe]29(C#[O])(C#[O])(C#[O])[Fe]483(C7=O)(C#[O])C#[O])C#[O])[n]1cc[n](cc1)[Cu]12345[C]678[Fe]9%103(C#[O])(C#[O])(C#[O])[Fe]6(C#[O])(C#[O])(C#[O])([Fe]479(C#[O])(C1=O)C#[O])[Fe]58%10(C2=O)(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC |
| Title of publication | Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays. |
| Authors of publication | Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 20 |
| Pages of publication | 5464 - 5475 |
| a | 10.2603 ± 0.0008 Å |
| b | 11.0569 ± 0.0009 Å |
| c | 14.175 ± 0.0011 Å |
| α | 103.989 ± 0.001° |
| β | 104.349 ± 0.001° |
| γ | 93.2 ± 0.001° |
| Cell volume | 1500.2 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 0.99 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015606.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015606.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015606.cif |
| 21202 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015605, 7015606, 7015607, 7015608, 7015609 via cif-deposit CGI script. |
7015606.cif |
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Users of the data should acknowledge the original authors of the
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