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Information card for entry 4324168
Preview
| Coordinates | 4324168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H39 Ce Si3 |
|---|---|
| Calculated formula | C24 H39 Ce Si3 |
| SMILES | [Ce]123456789%10%11%12([c]%13([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%13)([c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81)[c]1([cH]%12[cH]%11[cH]%10[cH]91)[Si](C)(C)C |
| Title of publication | Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe3)3Ce-ECp* and a Comprehensive Density Functional Theory Analysis of Cp3Ln-ECp (E = Al, Ga) |
| Authors of publication | Jamin L. Krinsky; Stefan G. Minasian; John Arnold |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 345 - 357 |
| a | 8.378 ± 0.0005 Å |
| b | 22.2086 ± 0.0015 Å |
| c | 29.1454 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5422.9 ± 0.6 Å3 |
| Cell temperature | 453 ± 2 K |
| Ambient diffraction temperature | 453 ± 2 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179344 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41. |
4324168.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324168.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324168.cif |
| 24459 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324168 via cif-deposit CGI script. |
4324168.cif |
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