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Information card for entry 1508262
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| Coordinates | 1508262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | B_PP |
|---|---|
| Chemical name | py-DPH2PH2(BF4)(H2O) |
| Formula | C37 H32 B F4 N2 O1.5 |
| Calculated formula | C37 H32 B F4 N2 O1.5 |
| Title of publication | Tictoid expanded pyridiniums: assessing structural, electrochemical, electronic, and photophysical features. |
| Authors of publication | Fortage, Jérôme; Tuyèras, Fabien; Peltier, Cyril; Dupeyre, Grégory; Calboréan, Adrian; Bedioui, Fethi; Ochsenbein, Philippe; Puntoriero, Fausto; Campagna, Sebastiano; Ciofini, Ilaria; Lainé, Philippe P |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2012 |
| Journal volume | 116 |
| Journal issue | 30 |
| Pages of publication | 7880 - 7891 |
| a | 14.651 ± 0.003 Å |
| b | 15.895 ± 0.003 Å |
| c | 27.762 ± 0.006 Å |
| α | 90° |
| β | 101.73 ± 0.03° |
| γ | 90° |
| Cell volume | 6330 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0814 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.523 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508262.cif |
| 113435 | 2014-05-12 | cif/ Updating files of 1508262, 1508263 Original log message: Adding full bibliography for 1508262--1508263.cif. |
1508262.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508262.cif |
| 66250 | 2012-09-09 | cif/ Adding structures of 1508262 via cif-deposit CGI script. |
1508262.cif |
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Users of the data should acknowledge the original authors of the
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