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Information card for entry 7115671
Preview
Coordinates | 7115671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H82 Cl10 Cu2 O4 P2 S8 Sn6 |
---|---|
Calculated formula | C64 H82 Cl10 Cu2 O4 P2 S8 Sn6 |
SMILES | C(C)(C)(CC(=O)C)[Sn@]12[S]3[Cu@]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Sn@@]5(Cl)S[Sn@]6(C(C)(C)CC(=O)C)[S]7[Cu@]([P](c8ccccc8)(c8ccccc8)c8ccccc8)([S]5[Sn@@]3(C(C)(C)CC(=O)C)S1)[Sn@](S2)([S]4[Sn@]7(C(C)(C)CC(=O)C)S6)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
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 | 12.6985 ± 0.0005 Å |
b | 13.1259 ± 0.0005 Å |
c | 15.4384 ± 0.0008 Å |
α | 115.138 ± 0.003° |
β | 101.519 ± 0.004° |
γ | 101.37 ± 0.003° |
Cell volume | 2164.23 ± 0.19 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 | 0.0365 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0695 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115671.html
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Users of the data should acknowledge the original authors of the
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