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Information card for entry 4345031
Preview
Coordinates | 4345031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 F3 N5 O6 P Re S2 |
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Calculated formula | C22 H20 F3 N5 O6 P Re S2 |
SMILES | [Re]1([P]23CN4CN(C2)CN(C3)C4)([n]2c(sc3c2cccc3)c2[n]1cccc2)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells. |
Authors of publication | Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K. |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 3 |
Pages of publication | 1534 - 1545 |
a | 13.019 ± 0.002 Å |
b | 16.084 ± 0.003 Å |
c | 25.409 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5320.6 ± 1.5 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4345031.html
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