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Information card for entry 7026620
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| Coordinates | 7026620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis-dichloridobis(3-imino-2-methoxyflavanone)ruthenium(II) x 3H2O |
|---|---|
| Formula | C32 H32 Cl2 N2 O9 Ru |
| Calculated formula | C32 H28 Cl2 N2 O9 Ru |
| SMILES | C12C([C@](Oc3c1cccc3)(OC)c1ccccc1)=[NH][Ru]1([O]=2)([NH]=C2C(c3c(cccc3)O[C@@]2(OC)c2ccccc2)=[O]1)(Cl)Cl.C12C([C@@](Oc3c1cccc3)(OC)c1ccccc1)=[NH][Ru]1([O]=2)([NH]=C2C(c3c(cccc3)O[C@]2(OC)c2ccccc2)=[O]1)(Cl)Cl.O.O.O.O.O.O |
| Title of publication | Synthesis, single-crystal and solution structure analysis and in vitro cytotoxic activity of two novel complexes of ruthenium(II) with in situ formed flavanone-based ligands. |
| Authors of publication | Ochocki, Justyn; Kasprzak, Maria; Chęcińska, Lilianna; Erxleben, Andrea; Zyner, Elżbieta; Szmigiero, Leszek; Garza-Ortiz, Ariadna; Reedijk, Jan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 40 |
| Pages of publication | 9711 - 9718 |
| a | 22.434 ± 0.004 Å |
| b | 8.694 ± 0.008 Å |
| c | 17.63 ± 0.01 Å |
| α | 90° |
| β | 93.56 ± 0.03° |
| γ | 90° |
| Cell volume | 3432 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0689 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179972 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66. |
7026620.cif |
| 93545 | 2014-01-13 | cif/ Adding structures of 7026619, 7026620 via cif-deposit CGI script. |
7026620.cif |
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