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Information card for entry 1517447
Preview
Coordinates | 1517447.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H32 F12 N6 O2 P2 Ru |
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Calculated formula | C46 H32 F12 N6 O2 P2 Ru |
SMILES | [Ru]1234([n]5cccc6c5c(ccc6)c5[n]1c(cc(c5)C(=O)OC)c1cccc5c1[n]2ccc5)[n]1ccccc1c1[n]3c(cc(c1)c1ccccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy. |
Authors of publication | Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2014 |
Journal volume | 57 |
Journal issue | 17 |
Pages of publication | 7280 - 7292 |
a | 43.6636 ± 0.001 Å |
b | 43.3688 ± 0.0007 Å |
c | 9.2311 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 17480.4 ± 0.6 Å3 |
Cell temperature | 182 ± 2 K |
Ambient diffraction temperature | 182 ± 2 K |
Number of distinct elements | 7 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.2093 |
Weighted residual factors for all reflections included in the refinement | 0.211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517447.cif |
132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1517447.cif |
124699 | 2014-10-06 | cif/ Updating files of 1517447 Original log message: Adding full bibliography for 1517447.cif. |
1517447.cif |
122546 | 2014-08-27 | cif/ Adding structures of 1517447 via cif-deposit CGI script. |
1517447.cif |
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