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Information card for entry 1504326
Preview
| Coordinates | 1504326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H25 B18 Co O |
|---|---|
| Calculated formula | C6 H25 B18 Co O |
| SMILES | [Co]123456789[CH]%10%11%12[CH]%13%141[BH]1%154[B]4%165([O](CC)[B]5%17%188[BH]8%197[CH]7%203[CH]3%212[BH]295[BH]59%18[BH]%18%17%19[BH]%178%20[BH]873[BH]%2125[BH]9%18%178)[BH]26%10[BH]35%16[BH]6%154[BH]4%141[BH]1%11%13[BH]%1223[BH]5641 |
| Title of publication | Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates. |
| Authors of publication | Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H |
| Journal of publication | Bioconjugate chemistry |
| Year of publication | 2008 |
| Journal volume | 19 |
| Journal issue | 11 |
| Pages of publication | 2171 - 2181 |
| a | 6.9172 ± 0.001 Å |
| b | 11.976 ± 0.002 Å |
| c | 22.298 ± 0.004 Å |
| α | 90° |
| β | 96.277 ± 0.008° |
| γ | 90° |
| Cell volume | 1836.1 ± 0.5 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1504326.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504326.cif |
| 41289 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504326 via cif-deposit CGI script. |
1504326.cif |
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Users of the data should acknowledge the original authors of the
structural data.