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Information card for entry 7240068
Preview
| Coordinates | 7240068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 N4 O4 Pt |
|---|---|
| Calculated formula | C12 H10 N4 O4 Pt |
| Title of publication | Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. |
| Authors of publication | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 12 |
| Pages of publication | 6677 - 6689 |
| a | 9.7525 ± 0.0003 Å |
| b | 20.6661 ± 0.0006 Å |
| c | 6.358 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1281.43 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 5 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for all reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.6939 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250377 (current) | 2020-04-05 | cif/ Updating files of 7240068, 7240069, 7240070, 7240071, 7240072, 7240073, 7240074, 7240075, 7240076 Original log message: Adding full bibliography for 7240068--7240076.cif. |
7240068.cif |
| 249114 | 2020-03-06 | cif/ Adding structures of 7240068, 7240069, 7240070, 7240071, 7240072, 7240073, 7240074, 7240075, 7240076 via cif-deposit CGI script. |
7240068.cif |
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Users of the data should acknowledge the original authors of the
structural data.