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Information card for entry 7715849
Preview
| Coordinates | 7715849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate] |
|---|---|
| Formula | C32 H40 Fe2 N24 Nb O4 |
| Calculated formula | C32 H40 Fe2 N24 Nb O4 |
| Title of publication | Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light. |
| Authors of publication | Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 18 |
| Pages of publication | 7677 - 7681 |
| a | 21.4699 ± 0.0003 Å |
| b | 21.4699 ± 0.0003 Å |
| c | 9.4581 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4359.8 ± 0.3 Å3 |
| Cell temperature | 5 K |
| Ambient diffraction temperature | 5 K |
| Ambient diffracton pressure | 280000 kPa |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.41008 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293117 (current) | 2024-07-05 | cif/ Updating files of 7715833, 7715834, 7715835, 7715836, 7715837, 7715838, 7715839, 7715840, 7715841, 7715842, 7715843, 7715844, 7715845, 7715846, 7715847, 7715848, 7715849 Original log message: Adding full bibliography for 7715833--7715849.cif. |
7715849.cif |
| 291371 | 2024-04-27 | cif/ Adding structures of 7715833, 7715834, 7715835, 7715836, 7715837, 7715838, 7715839, 7715840, 7715841, 7715842, 7715843, 7715844, 7715845, 7715846, 7715847, 7715848, 7715849 via cif-deposit CGI script. |
7715849.cif |
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Users of the data should acknowledge the original authors of the
structural data.