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Information card for entry 7040988
Preview
Coordinates | 7040988.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(1,4,5,8-tetraazaphenanthrene)(3-methyl-pyrazino[2,3-h]dipyrido[3,2-a:2?,3?-c]phenazine)ruthenium(II) chloride |
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Formula | C41 H24 Cl2 N14 Ru |
Calculated formula | C41 H23.5 Cl2 N14 Ru |
SMILES | [Ru]123([n]4cccc5c6nc7c(nc6c6c([n]1ccc6)c45)c1ncc(nc1cc7)C)([n]1c4c5[n]2ccnc5ccc4ncc1)[n]1c2c(ncc1)ccc1c2[n]3ccn1.[Cl-].[Cl-] |
Title of publication | Luminescent ruthenium polypyridyl complexes with extended 'dppz' like ligands as DNA targeting binders and cellular agents. |
Authors of publication | Poulsen, Bjørn C; Estalayo-Adrián, Sandra; Blasco, Salvador; Bright, Sandra A.; Kelly, John M.; Williams, D. Clive; Gunnlaugsson, Thorfinnur |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 45 |
Pages of publication | 18208 - 18220 |
a | 13.41 ± 0.05 Å |
b | 20.75 ± 0.07 Å |
c | 21.49 ± 0.08 Å |
α | 63.55 ± 0.06° |
β | 80.88 ± 0.06° |
γ | 88.05 ± 0.06° |
Cell volume | 5282 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2165 |
Residual factor for significantly intense reflections | 0.0992 |
Weighted residual factors for significantly intense reflections | 0.2605 |
Weighted residual factors for all reflections included in the refinement | 0.3361 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040988.html
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Users of the data should acknowledge the original authors of the
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