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Information card for entry 7115673
Preview
Coordinates | 7115673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H118 Ag2 Cl2 O8 P2 S14 Sn10 |
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Calculated formula | C84 H118 Ag2 Cl2 O8 P2 S14 Sn10 |
SMILES | C(C)(CC(=O)C)([Sn@]12[S]3[Ag@@]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]5[Sn@@]6(C(C)(C)CC(=O)C)[S]7[Ag@]([P](c8ccccc8)(c8ccccc8)c8ccccc8)([S]([Sn@]3(S1)C(C)(C)CC(=O)C)[Sn@@]4(S[Sn@@]7(C(C)(C)CC(=O)C)S6)Cl)[Sn@@]5(S2)Cl)C.O=C(CC(C)(C)[Sn]12S[Sn](S1)(C(C)(C)CC(=O)C)S[Sn]1(S[Sn](S2)(S1)C(C)(C)CC(=O)C)C(C)(C)CC(=O)C)C |
Title of publication | Bronze, silver and gold: functionalized group 11 organotin sulfide clusters |
Authors of publication | Jens P. Eussner; Stefanie Dehnen |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11385 |
a | 12.528 ± 0.0004 Å |
b | 15.2617 ± 0.0005 Å |
c | 15.4195 ± 0.0005 Å |
α | 91.365 ± 0.003° |
β | 102.845 ± 0.002° |
γ | 100.328 ± 0.002° |
Cell volume | 2821.6 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0443 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0685 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/7115673.html
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Users of the data should acknowledge the original authors of the
structural data.