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Information card for entry 1548078
Preview
| Coordinates | 1548078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H116 As4.79 Ge8 K3 N8 O18 Ta |
|---|---|
| Calculated formula | C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta |
| Title of publication | Understanding of multimetallic cluster growth |
| Authors of publication | Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 10480 |
| a | 16.6082 ± 0.0005 Å |
| b | 22.696 ± 0.0008 Å |
| c | 23.9068 ± 0.0008 Å |
| α | 94.96 ± 0.003° |
| β | 94.036 ± 0.003° |
| γ | 91.402 ± 0.003° |
| Cell volume | 8951.2 ± 0.5 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 | 0.1187 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1838 |
| Weighted residual factors for all reflections included in the refinement | 0.1973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203261 (current) | 2017-11-17 | cif/ Adding structures of 1548078 via cif-deposit CGI script. |
1548078.cif |
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Users of the data should acknowledge the original authors of the
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