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Information card for entry 1549958
Preview
Coordinates | 1549958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 F6 N8 Ni2 O4 S2 |
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Calculated formula | C30 H46 F6 N8 Ni2 O4 S2 |
Title of publication | Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD. |
Authors of publication | Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 45 |
Pages of publication | 8567 - 8574 |
a | 23.2608 ± 0.0014 Å |
b | 10.7528 ± 0.0006 Å |
c | 17.423 ± 0.001 Å |
α | 90° |
β | 117.976 ± 0.001° |
γ | 90° |
Cell volume | 3848.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0575 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1382 |
Weighted residual factors for all reflections included in the refinement | 0.1463 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549958.html
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