Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240069
Preview
Coordinates | 7240069.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 | 9.7361 ± 0.0008 Å |
b | 20.626 ± 0.013 Å |
c | 6.3029 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1265.7 ± 0.8 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 160000 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 | 0.0348 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for all reflections | 0.0872 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0603 |
Diffraction radiation wavelength | 0.4859 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240069.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.