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Information card for entry 7031436
Preview
| Coordinates | 7031436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H93 Ag B2 F6 N4 O2 P2 |
|---|---|
| Calculated formula | C99 H93 Ag B2 F6 N4 O2 P2 |
| SMILES | [B]1(n2c(c(c(c2C(=c2c(c(c([n]12)C)CC)C)c1ccc([P]([Ag]2([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[P](c2ccc(C3=c4c(c(c([n]4[B](n4c3c(c(c4C)CC)C)(c3ccccc3)c3ccccc3)C)CC)C)cc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C)CC)C)(c1ccccc1)c1ccccc1 |
| Title of publication | (B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2. |
| Authors of publication | Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13485 - 13499 |
| a | 17.8281 ± 0.0006 Å |
| b | 16.4975 ± 0.0004 Å |
| c | 28.2893 ± 0.0012 Å |
| α | 90° |
| β | 93.976 ± 0.005° |
| γ | 90° |
| Cell volume | 8300.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0742 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180020 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/14. |
7031436.cif |
| 123451 | 2014-09-08 | cif/ Updating files of 7031428, 7031429, 7031430, 7031431, 7031432, 7031433, 7031434, 7031435, 7031436, 7031437 Original log message: Adding full bibliography for 7031428--7031437.cif. |
7031436.cif |
| 117984 | 2014-06-23 | cif/ Adding structures of 7031428, 7031429, 7031430, 7031431, 7031432, 7031433, 7031434, 7031435, 7031436, 7031437 via cif-deposit CGI script. |
7031436.cif |
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Users of the data should acknowledge the original authors of the
structural data.