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Information card for entry 4075601
Preview
| Coordinates | 4075601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp*Rh(PTA)2Cl Cl 2HOH |
|---|---|
| Chemical name | Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Chloride with Water Solvate |
| Formula | C22 H43 Cl2 N6 O2 P2 Rh |
| Calculated formula | C22 H43 Cl2 N6 O2 P2 Rh |
| SMILES | [Rh]1234([P]56CN7CN(CN(C7)C6)C5)([P]56CN7CN(CN(C5)C7)C6)(Cl)[c]5(C)[c]1(C)[c]2(C)[c]3([c]45C)C.[Cl-].O.O |
| 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 | 9.1729 ± 0.0018 Å |
| b | 12.325 ± 0.003 Å |
| c | 13.028 ± 0.003 Å |
| α | 78.66 ± 0.03° |
| β | 83.11 ± 0.03° |
| γ | 70.94 ± 0.03° |
| Cell volume | 1362.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1525 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075601.cif |
| 178645 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56. |
4075601.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075601.cif |
| 49341 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075599, 4075600, 4075601 via cif-deposit CGI script. |
4075601.cif |
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