Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551396
Preview
Coordinates | 1551396.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 Cl2 N5 Ni O8 |
---|---|
Calculated formula | C14 Cl2 N5 Ni O8 |
Title of publication | Geometric and electronic structure and reactivity of a mononuclear 'side-on' nickel(iii)-peroxo complex |
Authors of publication | Jaeheung Cho; Ritimukta Sarangi; Jamespandi Annaraj; Sung Yeon Kim; Minoru Kubo; Takashi Ogura; Edward I. Solomon; Wonwoo Nam |
Journal of publication | Nature Chemistry |
Year of publication | 2009 |
Journal volume | 1 |
Pages of publication | 568 - 572 |
a | 8.969 ± 0.003 Å |
b | 8.969 ± 0.003 Å |
c | 14.521 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1168.1 ± 1 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 129 |
Hermann-Mauguin space group symbol | P 4/n m m :2 |
Hall space group symbol | -P 4a 2a |
Residual factor for all reflections | 0.0909 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.1963 |
Weighted residual factors for all reflections included in the refinement | 0.2047 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
215925 (current) | 2019-06-13 | cif/ Adding structures of 1551396 via cif-deposit CGI script. |
1551396.cif |
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.