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Information card for entry 7217069
Preview
Coordinates | 7217069.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H55 Cl O2 P2 Pd |
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Calculated formula | C59 H55 Cl O2 P2 Pd |
SMILES | [Pd]12([P](c3c4O[C@]56Oc7c(C[C@@H]6CCC[C@H]5Cc4ccc3)cccc7[P+]([CH]1=[CH]2C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.c1ccccc1.c1ccccc1 |
Title of publication | The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds |
Authors of publication | Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 34 |
Pages of publication | 7942 |
a | 9.7484 ± 0.0007 Å |
b | 19.9815 ± 0.0015 Å |
c | 25.907 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5046.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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