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Information card for entry 7715688
Preview
Coordinates | 7715688.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 Cl4 N2 Ni2 S4 |
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Calculated formula | C24 H32 Cl4 N2 Ni2 S4 |
Title of publication | Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site. |
Authors of publication | Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 17 |
Pages of publication | 7414 - 7423 |
a | 17.58 ± 0.002 Å |
b | 9.3786 ± 0.001 Å |
c | 18.147 ± 0.002 Å |
α | 90° |
β | 91.065 ± 0.004° |
γ | 90° |
Cell volume | 2991.5 ± 0.6 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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