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Information card for entry 8000112
Preview
| Coordinates | 8000112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H60 Cl4 Co2 N9 Na O22 Pt2 S5 |
|---|---|
| Calculated formula | C20 H60 Cl4 Co2 N9 Na1.00333 O22 Pt2 S5 |
| SMILES | C1([C@@H]2C(=O)O[Co]345([NH2]2)[S]1[Pt]([NH2]C)([NH2]C)[S]1CC[NH2][Co]261([NH2]CC[S]2[Pt]([NH2]C)([NH2]C)[S]5C([C@H](C(=O)O4)[NH2]3)(C)C)[NH2]CCS6)(C)C.O.O=Cl(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O=Cl(=O)(=O)[O-].[Na+].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units |
| Authors of publication | Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 522 |
| a | 19.879 ± 0.005 Å |
| b | 19.879 ± 0.005 Å |
| c | 22.926 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7846 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.2822 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000112.cif |
| 200400 | 2017-09-10 | cif/8/00/01/ Marking attached hydrogen atoms in entry 8000112. |
8000112.cif |
| 176728 | 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 8. |
8000112.cif |
| 94262 | 2014-01-22 | cif/ Adding structures of 8000110, 8000111, 8000112 via cif-deposit CGI script. |
8000112.cif |
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Users of the data should acknowledge the original authors of the
structural data.