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Information card for entry 1547384
Preview
Coordinates | 1547384.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H45 Au Cl O3 P Si2 |
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Calculated formula | C62 H45 Au Cl O3 P Si2 |
SMILES | [Au]([P]1(Oc2c(c3c(cc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cccc3)c2c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1ccccc21)Oc1ccccc1)Cl |
Title of publication | Modular chiral gold(i) phosphite complexes |
Authors of publication | Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2013 |
Journal volume | 3 |
Pages of publication | 3007 - 3012 |
a | 9.7873 ± 0.0003 Å |
b | 12.8393 ± 0.0004 Å |
c | 39.6173 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4978.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0389 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288243 (current) | 2023-12-12 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9841. This change affected only the misspelt variants of the '_diffrn_measurement_specimen_support' data name. |
1547384.cif |
201357 | 2017-09-27 | cif/ Adding structures of 1547384 via cif-deposit CGI script. |
1547384.cif |
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Users of the data should acknowledge the original authors of the
structural data.