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Information card for entry 7113177
Preview
| Coordinates | 7113177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5 |
|---|---|
| Formula | C60 H76 Sn2 |
| Calculated formula | C60 H76 Sn2 |
| SMILES | c1(cccc(c1c1c([Sn]2[H][Sn](c3c(cccc3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[H]2)c(ccc1)c1c(cccc1C(C)C)C(C)C)C(C)C)C(C)C |
| Title of publication | Convergent syntheses of [Sn7{C6H3-2,6-(C6H3-2,6-iPr2)2}2]: a cluster with a rare pentagonal bipyramidal motif |
| Authors of publication | Rivard, Eric; Steiner, Jochen; Fettinger, James C.; Giuliani, Jason R.; Augustine, Matthew P.; Power, Philip P. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 46 |
| Pages of publication | 4919 - 4921 |
| a | 9.2996 ± 0.0016 Å |
| b | 12.814 ± 0.002 Å |
| c | 12.938 ± 0.002 Å |
| α | 110.141 ± 0.003° |
| β | 98.399 ± 0.003° |
| γ | 110.94 ± 0.003° |
| Cell volume | 1286.6 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7102300 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210746 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7102299-7102300, 7113176-7113177. Marking entries 7113176-7113177 as duplicates of entries 7102299-7102300. |
7113177.cif |
| 180245 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/31. |
7113177.cif |
| 113367 | 2014-05-12 | cif/ Adding structures of 7113176, 7113177 via cif-deposit CGI script. |
7113177.cif |
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Users of the data should acknowledge the original authors of the
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