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Information card for entry 4107334
Preview
| Coordinates | 4107334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H18 Cl2 La2 |
|---|---|
| Calculated formula | C96 H18 Cl2 La2 |
| SMILES | [La]123456789[C]%10%11=[C]%124C42C2(C%133[C]31=[C]8%11c1c8c%11c%14c%15c%16c%17c%18c%19c%20C%21%22[La]%23%24%25%26[C]%27(c%28c%29[C]%30%24=[C]%25(C%24%23c%23c%21c%21c%25c%31c%32c%33c%34c%35c%36c%37c%38c(c%12c%36[C]74=[C]6%34[C]49=[C]5%13c5c(c38)c(c%18c(c%31c%19%21)c5c%324)c%11%17)c3c%10c4c5c(c(c%15%28)c%14c14)c%29c1c(c%38c4c%37c6c%35c%33c%25c%23c6c%24c4c%301)c35)[C]%22%26=%27)c%16%20)C1CC3CC(CC2C3)C1.Clc1c(cccc1)Cl |
| Title of publication | Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene) |
| Authors of publication | Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 1171 - 1176 |
| a | 22.031 ± 0.003 Å |
| b | 22.122 ± 0.003 Å |
| c | 20.498 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9990 ± 2 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1178 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.18 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178819 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73. |
4107334.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107334.cif |
| 54999 | 2012-05-02 | cif/ Adding structures of 4107334 via cif-deposit CGI script. |
4107334.cif |
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Users of the data should acknowledge the original authors of the
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