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Information card for entry 4308878
Preview
| Coordinates | 4308878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H120 Na2 O16 Ru2 |
|---|---|
| Calculated formula | C72 H120 Na2 O16 Ru2 |
| SMILES | c12c(cc(cc1C(C)(C)C)C(C)(C)C)O[Ru]1([O]2[Na]234([O](C)CC[O]2C)[O](C)CC[O]3C)(Oc2c(cc(cc2[O]14)C(C)(C)C)C(C)(C)C)[Ru]12(Oc3c(cc(cc3[O]1[Na]134([O](C)CC[O]1C)[O](C)CC[O]3C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1[O]24)C(C)(C)C)C(C)(C)C |
| Title of publication | Substituent-Directed Structural and Physicochemical Controls of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds |
| Authors of publication | Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3799 - 3809 |
| a | 11.073 ± 0.002 Å |
| b | 16.211 ± 0.002 Å |
| c | 22.136 ± 0.003 Å |
| α | 90° |
| β | 100.146 ± 0.003° |
| γ | 90° |
| Cell volume | 3911.4 ± 1 Å3 |
| Cell temperature | 223.2 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 significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.321 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308878.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308878.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308878.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308878.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308878.cif |
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