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Information card for entry 1504327
Preview
| Coordinates | 1504327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H71 B18 Co N6 O3 |
|---|---|
| Calculated formula | C62 H71 B18 Co N6 O3 |
| SMILES | O(CCn1c2ccc1C(=c1[nH]c(=C(c3nc(C(=c4[nH]c(=C2c2ccccc2)cc4)c2ccccc2)cc3)c2ccccc2)cc1)c1ccccc1)CCO[B]1234[Co]56789%10%11([CH]%12%13%14[CH]%15%165[BH]517[BH]17%16[BH]%16%14%15[BH]%14%15%13[BH]28%12[BH]23%14[BH]451[BH]7%16%152)[CH]123[CH]456[BH]67%11[BH]8%11%10[BH]%1091[BH]193[BH]325[BH]247[BH]468[BH]%11%101B9324.O.n1ccccc1.n1ccccc1 |
| 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 | 14.488 ± 0.002 Å |
| b | 15.269 ± 0.002 Å |
| c | 15.85 ± 0.003 Å |
| α | 66.662 ± 0.007° |
| β | 76.501 ± 0.006° |
| γ | 83.995 ± 0.007° |
| Cell volume | 3130.2 ± 0.9 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 | 0.2247 |
| Residual factor for significantly intense reflections | 0.0936 |
| Weighted residual factors for significantly intense reflections | 0.1632 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1504327.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504327.cif |
| 41290 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504327 via cif-deposit CGI script. |
1504327.cif |
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