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Information card for entry 4123458
Preview
| Coordinates | 4123458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H72 Ce Cl6 N4 P3 |
|---|---|
| Calculated formula | C80 H72 Ce Cl6 N4 P3 |
| Title of publication | Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2). |
| Authors of publication | Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 7 |
| Pages of publication | 2506 - 2523 |
| a | 15.4642 ± 0.0009 Å |
| b | 15.25 ± 0.0009 Å |
| c | 16.0021 ± 0.0009 Å |
| α | 90° |
| β | 91.415 ± 0.001° |
| γ | 90° |
| Cell volume | 3772.6 ± 0.4 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123458.cif |
| 132883 | 2015-03-04 | cif/ Updating files of 4123456, 4123457, 4123458, 4123459, 4123460 Original log message: Adding full bibliography for 4123456--4123460.cif. |
4123458.cif |
| 131956 | 2015-02-18 | cif/ Adding structures of 4123458 via cif-deposit CGI script. |
4123458.cif |
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Users of the data should acknowledge the original authors of the
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