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Information card for entry 7016918
Preview
Coordinates | 7016918.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H18 N3 O4 Re |
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Calculated formula | C27 H18 N3 O4 Re |
SMILES | C(#[O])[Re]12(C#[O])(C#[O])N(C(=O)c3ccccc3)C(c3cccc[n]13)(c1cccc[n]21)c1ccccc1 |
Title of publication | Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications. |
Authors of publication | Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 39 |
Pages of publication | 10215 - 10228 |
a | 11.0493 ± 0.0002 Å |
b | 12.7288 ± 0.0002 Å |
c | 16.2947 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2291.76 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P c 21 n |
Hall space group symbol | P -2n -2ac |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0476 |
Weighted residual factors for all reflections included in the refinement | 0.0488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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