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Information card for entry 4323700
Preview
Coordinates | 4323700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H52 Cl4 Hg In2 O5 |
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Calculated formula | C40 H52 Cl4 Hg In2 O5 |
SMILES | [In](Cl)([O]1CCCC1)([O]1CCCC1)(c1cccc2cccc([Hg]3)c12)c1cccc2cccc3c12.[In](Cl)(Cl)(Cl)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles |
Authors of publication | François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 5694 - 5698 |
a | 17.529 ± 0.002 Å |
b | 8.954 ± 0.001 Å |
c | 27.704 ± 0.002 Å |
α | 90° |
β | 107.02 ± 0.01° |
γ | 90° |
Cell volume | 4157.8 ± 0.8 Å3 |
Cell temperature | 199 ± 2 K |
Ambient diffraction temperature | 199 ± 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 | 0.0318 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for all reflections | 0.0697 |
Weighted residual factors for significantly intense reflections | 0.0632 |
Goodness-of-fit parameter for all reflections | 1.072 |
Goodness-of-fit parameter for significantly intense reflections | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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