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Information card for entry 7007377
Preview
Coordinates | 7007377.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H14 N4 Ni O6 S4 |
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Calculated formula | C16 H14 N4 Ni O6 S4 |
SMILES | c1c(cc[nH+]c1)/C=N/O.[Ni]12(SC(=O)C(=O)S1)SC(=O)C(=O)S2.c1cc(cc[nH+]1)/C=N/O |
Title of publication | Cation and anion diversity in [M(dithiooxalate)2]2- salts: structure robustness in crystal synthesis. |
Authors of publication | Adams, Christopher J.; Crawford, Paul C.; Guy Orpen, A.; Podesta, Thomas J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 34 |
Pages of publication | 4078 - 4092 |
a | 7.3167 ± 0.0008 Å |
b | 8.6127 ± 0.0009 Å |
c | 9.6402 ± 0.0011 Å |
α | 63.69 ± 0.002° |
β | 70.051 ± 0.002° |
γ | 82.668 ± 0.002° |
Cell volume | 511.69 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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