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Information card for entry 4109302
Preview
Coordinates | 4109302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H38 Br2 Cl2 P2 Pt2 S2 |
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Calculated formula | C39 H38 Br2 Cl2 P2 Pt2 S2 |
SMILES | C[S]1[Pt](Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C)[Pt]1(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations |
Authors of publication | Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 4551 - 4566 |
a | 11.35 ± 0.002 Å |
b | 13.561 ± 0.003 Å |
c | 14.212 ± 0.003 Å |
α | 98.75 ± 0.02° |
β | 112.4 ± 0.02° |
γ | 92.88 ± 0.03° |
Cell volume | 1984.8 ± 0.8 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109302.html
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