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Information card for entry 4109347
Preview
| Coordinates | 4109347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H58 B2 F8 Fe3 N10 O2 |
|---|---|
| Calculated formula | C54 H58 B2 F8 Fe3 N10 O2 |
| SMILES | [B](F)(F)(F)[F-].c1[n]2[Fe]345([n]6c(cc(cc6n6ccc[n]36)/C=C/[c]36[cH]7[cH]8[cH]9[cH]3[Fe]3%10%11%126789[cH]6[cH]%12[cH]%11[cH]%10[cH]36)n2cc1)[n]1c(cc(cc1n1ccc[n]41)/C=C/[c]12[cH]3[cH]4[cH]6[cH]1[Fe]17892346[cH]2[cH]9[cH]8[cH]7[cH]12)n1ccc[n]51.C(C)OCC.[B](F)(F)(F)[F-].C(C)OCC |
| Title of publication | Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption |
| Authors of publication | Masayuki Nihei; Lingqin Han; Hiroki Oshio |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 5312 - 5313 |
| a | 25.544 ± 0.002 Å |
| b | 32.347 ± 0.004 Å |
| c | 12.809 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10584 ± 2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4109347.cif |
| 178839 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93. |
4109347.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109347.cif |
| 58113 | 2012-05-25 | cif/ Adding structures of 4109347 via cif-deposit CGI script. |
4109347.cif |
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Users of the data should acknowledge the original authors of the
structural data.