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Information card for entry 7105961
Preview
| Coordinates | 7105961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C1(32)-C90.NiOEP.2toluene |
|---|---|
| Formula | C140 H60 N4 Ni |
| Calculated formula | C140 H60 N4 Ni |
| Title of publication | Fullerenes without symmetry: crystallographic characterization of C1(30)‒C~90~ and C1(32)‒C~90~ |
| Authors of publication | Wang, Hua; Mercado, Brandon Q.; Jin, Hongxiao; Wang, Zhimin; Jiang, An; Li, Ziyang; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 2068 - 2070 |
| a | 25.2727 ± 0.0008 Å |
| b | 15.3277 ± 0.0005 Å |
| c | 20.9562 ± 0.0007 Å |
| α | 90° |
| β | 95.162 ± 0.002° |
| γ | 90° |
| Cell volume | 8084.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0935 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.2222 |
| Weighted residual factors for all reflections included in the refinement | 0.2416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210840 (current) | 2018-09-11 | cif/7/10/ Updating bibliography in entries 7105961-7105962, 7109071-7109072. Marking entries 7109071-7109072 as duplicates of entries 7105961-7105962. |
7105961.cif |
| 180163 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/59. |
7105961.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7105961.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7105961.cif |
| 11058 | 2011-02-14 | ../uploads/cif-deposit/cod/cif Adding structures of 7105961, 7105962 via cif-deposit CGI script. |
7105961.cif |
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