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Information card for entry 4340996
Preview
| Coordinates | 4340996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate |
|---|---|
| Formula | C47.5 H47 B2 Fe N12 |
| Calculated formula | C45.1 H41.65 B2 Fe N12 |
| Title of publication | A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands. |
| Authors of publication | Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 18 |
| Pages of publication | 9809 - 9817 |
| a | 12.4162 ± 0.0005 Å |
| b | 12.6629 ± 0.0004 Å |
| c | 15.4177 ± 0.0007 Å |
| α | 72.835 ± 0.003° |
| β | 73.802 ± 0.004° |
| γ | 88.575 ± 0.003° |
| Cell volume | 2219.77 ± 0.16 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1488 |
| Residual factor for significantly intense reflections | 0.1027 |
| Weighted residual factors for significantly intense reflections | 0.2735 |
| Weighted residual factors for all reflections included in the refinement | 0.3106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4340996.cif |
| 171438 | 2015-12-11 | cod/ (antanas@echidna.ibt.lt) Replacing '’' sequences with a quotation mark ("'") in _chemical_name_systematic tag values in multiple entries. |
4340996.cif |
| 126868 | 2014-11-11 | cif/ Updating files of 4340990, 4340991, 4340992, 4340993, 4340994, 4340995, 4340996, 4340997, 4340998, 4340999, 4341000, 4341001, 4341002, 4341003, 4341004, 4341005, 4341006, 4341007, 4341008, 4341009, 4341010, 4341011, 4341012, 4341013, 4341014, 4341015, 4341016, 4341017, 4341018 Original log message: Adding full bibliography for 4340990--4341018.cif. |
4340996.cif |
| 122651 | 2014-08-31 | cif/ Adding structures of 4340992, 4340993, 4340994, 4340995, 4340996 via cif-deposit CGI script. |
4340996.cif |
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Users of the data should acknowledge the original authors of the
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