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Information card for entry 4508851
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Coordinates | 4508851.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 Cl2 Pd S2 |
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Calculated formula | C14 H16 Cl2 Pd S2 |
SMILES | c1(ccccc1)[S](C)[Pd]([S](c1ccccc1)C)(Cl)Cl |
Title of publication | Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph) |
Authors of publication | Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku |
Journal of publication | Crystal Growth & Design |
Year of publication | 2006 |
Journal volume | 6 |
Journal issue | 10 |
Pages of publication | 2376 |
a | 6.8454 ± 0.0014 Å |
b | 7.9258 ± 0.0016 Å |
c | 8.5633 ± 0.0017 Å |
α | 87.86 ± 0.03° |
β | 71.44 ± 0.03° |
γ | 65.78 ± 0.03° |
Cell volume | 399.33 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0206 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.0477 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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