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Information card for entry 4075600
Preview
| Coordinates | 4075600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp*Rh(PTA)2Cl BPh4 MeOH |
|---|---|
| Chemical name | Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Tetraphenylborate with methanol solvate |
| Formula | C46.7 H61.81 B Cl N6 O0.705 P2 Rh |
| Calculated formula | C46.704 H61.816 B Cl N6 O0.704 P2 Rh |
| SMILES | C1N2CN3C[P]1(CN(C2)C3)[Rh]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([P]12CN3CN(C2)CN(C1)C3)Cl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CO |
| Title of publication | In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium |
| Authors of publication | Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4090 |
| a | 11.985 ± 0.001 Å |
| b | 30.388 ± 0.002 Å |
| c | 13.002 ± 0.0009 Å |
| α | 90° |
| β | 107.8 ± 0.007° |
| γ | 90° |
| Cell volume | 4508.6 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075600.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075600.cif |
| 49341 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075599, 4075600, 4075601 via cif-deposit CGI script. |
4075600.cif |
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