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Information card for entry 4314078
Preview
Coordinates | 4314078.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H13 Cl N4 Pd |
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Calculated formula | C17 H13 Cl N4 Pd |
SMILES | [Pd]12([n]3ccccc3N=[N]2c2ccccc2N1c1ccccc1)Cl |
Title of publication | Design and Synthesis of a New Binucleating Ligand via Cobalt-Promoted C-N Bond Fusion Reaction. Ligand Isolation and Its Coordination to Nickel, Palladium, and Platinum |
Authors of publication | Kunal K. Kamar; Srijit Das; Chen-Hsiung Hung; Alfonso Castiñeiras; Michael D. Kuz'min; Conrado Rillo; Juan Bartolomé; Sreebrata Goswami |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5367 - 5375 |
a | 6.7919 ± 0.0005 Å |
b | 16.9123 ± 0.0013 Å |
c | 13.829 ± 0.001 Å |
α | 90° |
β | 91.161 ± 0.002° |
γ | 90° |
Cell volume | 1588.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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