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Information card for entry 4328783
Preview
Coordinates | 4328783.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H28 N4 O4 Pd |
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Calculated formula | C36 H28 N4 O4 Pd |
SMILES | C1(=O)c2cccc[n]2[Pd]23N1c1cccc4c1cc(cc4)OCCCCOc1ccc4cccc(c4c1)N2C(=O)c1cccc[n]31 |
Title of publication | Planar-Chiral Metal Complexes Comprised of Square-Planar Metal and Achiral Tetradentate Ligands: Design, Optical Resolution, and Thermodynamics |
Authors of publication | Hidetoshi Goto; Teppei Hayakawa; Kanako Furutachi; Hiroshi Sugimoto; Shohei Inoue |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4134 - 4142 |
a | 16.5464 ± 0.0006 Å |
b | 11.3534 ± 0.0004 Å |
c | 17.6697 ± 0.0007 Å |
α | 90° |
β | 115.53 ± 0.001° |
γ | 90° |
Cell volume | 2995.29 ± 0.19 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 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 | 0.0353 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0812 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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