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Information card for entry 4317363
Preview
| Coordinates | 4317363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H158 Cl6 Cu8 N24 Ni O55 |
|---|---|
| Calculated formula | C78 H144 Cl6 Cu8 N24 Ni O55 |
| Title of publication | Tuning the Spin Ground State in Heterononanuclear Nickel(II)-Copper(II) Cylinders with a Triangular Metallacyclophane Core |
| Authors of publication | Marie-Claire Dul; Jesús Ferrando-Soria; Emilio Pardo; Rodrigue Lescouëzec; Yves Journaux; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Oscar Fabelo; Jorge Pasán; Catalina Ruiz-Pérez |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 11264 - 11266 |
| a | 25.653 ± 0.005 Å |
| b | 27.605 ± 0.006 Å |
| c | 36.879 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26116 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.1252 |
| Residual factor for significantly intense reflections | 0.1058 |
| Weighted residual factors for significantly intense reflections | 0.2749 |
| Weighted residual factors for all reflections included in the refinement | 0.2956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7513 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179253 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73. |
4317363.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317363.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317363.cif |
| 10875 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317363 via cif-deposit CGI script. |
4317363.cif |
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Users of the data should acknowledge the original authors of the
structural data.