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Information card for entry 1500021
Preview
| Coordinates | 1500021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H84 N8 O20 Ru4 |
|---|---|
| Calculated formula | C64 H72 N8 O20 Ru4 |
| SMILES | [Ru]1234567([OH][Ru]89%10%11%12([OH]1)([c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)C)C(C)C)[n]1c8ccc9[n]([Ru]%10%11%12%13%14%15([OH][Ru]%16%17%18%19%20([OH]%10)([c]%10([cH]%20[cH]%19[c]%18([cH]%17[cH]%16%10)C)C(C)C)[n]%10c%16ccc%17[n]7cccc%17c%16ccc%10)[c]7([cH]%15[cH]%14[c]%13([cH]%12[cH]%117)C)C(C)C)cccc9c8ccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O |
| Title of publication | Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides |
| Authors of publication | Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro |
| Journal of publication | Journal of Inorganic Biochemistry |
| Year of publication | 2008 |
| Journal volume | 102 |
| Pages of publication | 1025 - 1032 |
| a | 32.9293 ± 0.0014 Å |
| b | 20.2105 ± 0.0009 Å |
| c | 22.498 ± 0.0009 Å |
| α | 90° |
| β | 105.708 ± 0.001° |
| γ | 90° |
| Cell volume | 14413.6 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0881 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.234 |
| Weighted residual factors for all reflections included in the refinement | 0.2589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1500021.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500021.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500021.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1500021.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
1500021.cif |
| 457 | 2008-10-13 | Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions. |
1500021.cif |
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Users of the data should acknowledge the original authors of the
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