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Information card for entry 7039976
Preview
Coordinates | 7039976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H24 Bi4 Cl4 F12 Hg3 Mo4 O8 |
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Calculated formula | C48 H24 Bi4 Cl4 F12 Hg3 Mo4 O8 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]12345(C#[O])(C#[O])[Bi]2[Mo]3456([cH]7[cH]6[cH]5[cH]4[cH]37)(C#[O])(C#[O])[Bi]12.[cH]12[cH]3[cH]4[cH]5[cH]1[Mo]12345(C#[O])(C#[O])[Bi]2[Mo]3456([cH]7[cH]5[cH]4[cH]3[cH]67)(C#[O])(C#[O])[Bi]12.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2.C(Cl)Cl.C(Cl)Cl |
Title of publication | Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes. |
Authors of publication | Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13742 - 13749 |
a | 13.5154 ± 0.0002 Å |
b | 14.6 ± 0.0002 Å |
c | 17.6515 ± 0.0003 Å |
α | 111.087 ± 0.002° |
β | 103.308 ± 0.002° |
γ | 104.483 ± 0.001° |
Cell volume | 2942.32 ± 0.11 Å3 |
Cell temperature | 123.05 ± 0.1 K |
Ambient diffraction temperature | 123.05 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0386 |
Weighted residual factors for all reflections included in the refinement | 0.0395 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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