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Information card for entry 4305577
Preview
| Coordinates | 4305577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H55 Cl2 N13 O13 Ru |
|---|---|
| Calculated formula | C41 H55 Cl2 N13 O13 Ru |
| SMILES | c12cccc3[n]2[Ru]([N](=C1)c1c(cc(cc1C)C)C)([n]1cn(CC)c2nc([nH]c(=O)c12)N)([OH2])([N](=C3)c1c(cc(cc1C)C)C)[n]1c2c(nc([nH]c2=O)N)n(c1)CC.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC |
| Title of publication | Ruthenium(III) Chloride Complex with a Tridentate Bis(arylimino)pyridine Ligand: Synthesis, Spectra, X-ray Structure, 9-Ethylguanine Binding Pattern, and In Vitro Cytotoxicity |
| Authors of publication | Ariadna Garza-Ortiz; Palanisamy Uma Maheswari; Maxime Siegler; Anthony L. Spek; Jan Reedijk |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 6964 - 6973 |
| a | 25.235 ± 0.0001 Å |
| b | 30.842 ± 0.0002 Å |
| c | 12.2446 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9529.95 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0202 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179093 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/55. |
4305577.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305577.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305577.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305577.cif |
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