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Information card for entry 7032834
Preview
| Coordinates | 7032834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H24 Br2 Cl0 Fe N5 O3 S |
|---|---|
| Calculated formula | C34 H24 Br2 Fe N5 O3 S |
| SMILES | [Fe]1234(Oc5ccc(Br)cc5C=[N]1c1cccc5c1[n]2ccc5)[n]1cccc2c1c([N]3=Cc1c(ccc(Br)c1)O4)ccc2.[S-]C#N.OC |
| Title of publication | Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes. |
| Authors of publication | Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 17509 - 17518 |
| a | 10.3118 ± 0.0006 Å |
| b | 12.8729 ± 0.0008 Å |
| c | 25.6592 ± 0.0016 Å |
| α | 76.441 ± 0.002° |
| β | 79.516 ± 0.002° |
| γ | 77.756 ± 0.002° |
| Cell volume | 3204.3 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1624 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1476 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (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 7/03/28. |
7032834.cif |
| 126393 | 2014-11-06 | cif/ Updating files of 7032829, 7032830, 7032831, 7032832, 7032833, 7032834, 7032835 Original log message: Adding full bibliography for 7032829--7032835.cif. |
7032834.cif |
| 125530 | 2014-10-18 | cif/ Adding structures of 7032829, 7032830, 7032831, 7032832, 7032833, 7032834, 7032835 via cif-deposit CGI script. |
7032834.cif |
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