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Information card for entry 1504328
Preview
| Coordinates | 1504328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H75 B18 Co N4 O2 |
|---|---|
| Calculated formula | C44 H75 B18 Co N4 O2 |
| SMILES | [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%145[B]5%153(OCCOCC[n+]3c%16c(c(c3=Cc3[nH]c(C=c%17nc(C=c%18[nH]c(=C%16)c(c%18CC)CC)c(c%17CC)CC)c(c3CC)CC)CC)CC)[BH]349[BH]495[BH]5%103[BH]3%11%12[BH]%10%131[BH]%14%154[BH]953%10)[CH]134[CH]592[BH]2%106[BH]6%117[BH]781[BH]18%11[BH]%11%106[BH]692[BH]235[BH]471[BH]8%1162 |
| 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 | 11.14 ± 0.007 Å |
| b | 15.492 ± 0.008 Å |
| c | 16.413 ± 0.011 Å |
| α | 64.83 ± 0.03° |
| β | 87.51 ± 0.03° |
| γ | 84.12 ± 0.04° |
| Cell volume | 2550 ± 3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.128 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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. |
1504328.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504328.cif |
| 41291 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504328 via cif-deposit CGI script. |
1504328.cif |
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Users of the data should acknowledge the original authors of the
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