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Information card for entry 7716562
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Coordinates | 7716562.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | ND-249_auto__ final clear data |
---|---|
Formula | C39 H40 N Ni O P S |
Calculated formula | C39 H40 N Ni O P S |
Title of publication | Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase. |
Authors of publication | Bag, Jayanta; Das, Surajit; Pal, Kuntal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 30 |
Pages of publication | 12773 - 12782 |
a | 19.2573 ± 0.0001 Å |
b | 13.2144 ± 0.0001 Å |
c | 13.0939 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3332.05 ± 0.04 Å3 |
Cell temperature | 101 ± 1 K |
Ambient diffraction temperature | 101 ± 1 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7716562.html
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Users of the data should acknowledge the original authors of the
structural data.