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Information card for entry 7217734
Preview
Coordinates | 7217734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 Cl2 N4 O4 Pd |
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Calculated formula | C16 H18 Cl2 N4 O4 Pd |
SMILES | c1c(c2c(c(c1)O)n1c(C)cc(C)[n]1[Pd](Cl)([n]1c(cc(C)n21)C)Cl)O.O.O |
Title of publication | A hydroquinone based palladium catalyst for room temperature nitro reduction in water |
Authors of publication | Kumar, Alok; Purkait, Kallol; Dey, Suman Kr.; Sarkar, Amrita; Mukherjee, Arindam |
Journal of publication | RSC Advances |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 66 |
Pages of publication | 35233 |
a | 16.3889 ± 0.001 Å |
b | 8.8163 ± 0.0003 Å |
c | 14.1318 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2041.9 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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