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Information card for entry 7023449
Preview
| Coordinates | 7023449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H19 B Cl1.5 F2 Fe N2 |
|---|---|
| Calculated formula | C30 H19 B Cl1.5 F2 Fe N2 |
| Title of publication | Donor-acceptor meso-alkynylated ferrocenyl BODIPYs: synthesis, structure, and properties. |
| Authors of publication | Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 37 |
| Pages of publication | 13658 - 13666 |
| a | 15.2883 ± 0.0005 Å |
| b | 7.3885 ± 0.0002 Å |
| c | 22.5986 ± 0.0006 Å |
| α | 90° |
| β | 94.043 ± 0.003° |
| γ | 90° |
| Cell volume | 2546.33 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.2049 |
| Weighted residual factors for all reflections included in the refinement | 0.2274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7023449.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
7023449.cif |
| 90540 | 2013-11-18 | cif/ Adding structures of 7023448, 7023449, 7023450 via cif-deposit CGI script. |
7023449.cif |
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