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Information card for entry 4342054
Preview
| Coordinates | 4342054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H70 B Cl2 F3 N3 P3 S4 W3 |
|---|---|
| Calculated formula | C67 H70 B Cl2 F3 N3 P3 S4 W3 |
| SMILES | [W]12345([W]678([W]91(S6)([S]27)(S3)([P](CC[NH2]9)(c1ccccc1)c1ccccc1)F)(S4)([P](c1ccccc1)(CC[NH2]8)c1ccccc1)F)([P](c1ccccc1)(c1ccccc1)CC[NH2]5)F.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
| Title of publication | Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides. |
| Authors of publication | Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 607 - 618 |
| a | 14.2869 ± 0.0003 Å |
| b | 15.6823 ± 0.0003 Å |
| c | 17.6782 ± 0.0003 Å |
| α | 75.7547 ± 0.0014° |
| β | 71.0168 ± 0.0016° |
| γ | 65.35 ± 0.0017° |
| Cell volume | 3375.9 ± 0.12 Å3 |
| Cell temperature | 199.95 ± 0.1 K |
| Ambient diffraction temperature | 199.95 ± 0.1 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342054.cif |
| 130503 | 2015-02-04 | cif/ Updating files of 4342053, 4342054, 4342055, 4342056 Original log message: Adding full bibliography for 4342053--4342056.cif. |
4342054.cif |
| 129779 | 2015-01-17 | cif/ Adding structures of 4342054 via cif-deposit CGI script. |
4342054.cif |
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Users of the data should acknowledge the original authors of the
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