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Information card for entry 7119087
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Coordinates | 7119087.cif |
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Formula | C153 H106 B2 Cl2 F48 Pd4 |
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Calculated formula | C153 H106 B2 Cl2 F48 Pd4 |
Title of publication | A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers |
Authors of publication | Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 6427 |
a | 18.5114 ± 0.0007 Å |
b | 21.0181 ± 0.0007 Å |
c | 19.5326 ± 0.0007 Å |
α | 90° |
β | 111.452 ± 0.0009° |
γ | 90° |
Cell volume | 7073.2 ± 0.4 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0678 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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