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Information card for entry 7041221
Preview
Coordinates | 7041221.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H42 N4 O4 Ti |
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Calculated formula | C58 H42 N4 O4 Ti |
SMILES | [Ti]123(Oc4c(c5ccccc5)cccc4c4c(O1)c(ccc4)c1ccccc1)(Oc1c(c4ccccc4)cccc1c1c(O2)c(ccc1)c1ccccc1)[n]1ccc(nc1c1[n]3ccc(n1)C)C |
Title of publication | Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities. |
Authors of publication | Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 47 |
Pages of publication | 19072 - 19085 |
a | 11.8033 ± 0.0003 Å |
b | 16.02 ± 0.0004 Å |
c | 23.908 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4520.7 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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