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Information card for entry 4133113
Preview
Coordinates | 4133113.cif |
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Original paper (by DOI) | HTML |
Formula | C91.55 H103.3 Cl12 N15.77 O3.99 Pd6 |
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Calculated formula | C91.56 H95.34 Cl12 N15.78 O3.99 Pd6 |
Title of publication | Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition. |
Authors of publication | Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 48 |
Pages of publication | 16610 - 16614 |
a | 19.548 ± 0.0002 Å |
b | 51.5698 ± 0.0008 Å |
c | 14.2643 ± 0.00015 Å |
α | 90° |
β | 90.991 ± 0.001° |
γ | 90° |
Cell volume | 14377.5 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.1824 |
Residual factor for significantly intense reflections | 0.1637 |
Weighted residual factors for significantly intense reflections | 0.3404 |
Weighted residual factors for all reflections included in the refinement | 0.3501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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