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Information card for entry 7041083
Preview
Coordinates | 7041083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H34 B F4 N6 O P Ru |
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Calculated formula | C27 H34 B F4 N6 O P Ru |
SMILES | [Ru]123456([P]78CN9CN(C7)CN(C8)C9)([n]7ccccc7C(=O)N1c1cccnc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[B](F)(F)(F)[F-] |
Title of publication | Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties. |
Authors of publication | Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 48 |
Pages of publication | 19277 - 19289 |
a | 39.549 ± 0.002 Å |
b | 12.8897 ± 0.0004 Å |
c | 12.5616 ± 0.0003 Å |
α | 90° |
β | 90.442 ± 0.003° |
γ | 90° |
Cell volume | 6403.4 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0522 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1222 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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