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Information card for entry 4116478
Preview
Coordinates | 4116478.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H20 N4 S6 |
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Calculated formula | C22 H20 N4 S6 |
SMILES | C12=C(N(CC)C(=S)N2c2ccccc2)SSSSC2=C1N(C(=S)N2CC)c1ccccc1 |
Title of publication | New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation |
Authors of publication | Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 7098 - 7107 |
a | 15.419 ± 0.002 Å |
b | 15.799 ± 0.002 Å |
c | 12.989 ± 0.001 Å |
α | 90 ± 0° |
β | 126.14 ± 0.01° |
γ | 90 ± 0° |
Cell volume | 2555.3 ± 0.6 Å3 |
Cell temperature | 293 ± 1 K |
Ambient diffraction temperature | 293 ± 1 K |
Number of distinct elements | 4 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.033 |
Goodness-of-fit parameter for all reflections | 0.864 |
Goodness-of-fit parameter for significantly intense reflections | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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