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Information card for entry 4313635
Preview
Coordinates | 4313635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H18 Cl2 N2 Pd S |
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Calculated formula | C10 H18 Cl2 N2 Pd S |
SMILES | [Pd]1([S](C)CCc2[n]1[nH]c(c2)C(C)(C)C)(Cl)Cl |
Title of publication | Substituent Control of Hydrogen Bonding in Palladium(II)-Pyrazole Complexes |
Authors of publication | Douglas B. Grotjahn; Sang Van; David Combs; Daniel A. Lev; Christian Schneider; Christopher D. Incarvito; Kim-Chung Lam; Gene Rossi; Arnold L. Rheingold; Marc Rideout; Christoph Meyer; Genaro Hernandez; Lupe Mejorado |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3347 - 3355 |
a | 10.6217 ± 0.0019 Å |
b | 10.7784 ± 0.0019 Å |
c | 12.812 ± 0.002 Å |
α | 90° |
β | 107.328 ± 0.003° |
γ | 90° |
Cell volume | 1400.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0457 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313635.html
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