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Information card for entry 7016806
Preview
| Coordinates | 7016806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H168 Mo4 O24 S8 |
|---|---|
| Calculated formula | C116 H168 Mo4 O24 S8 |
| Title of publication | Synthesis and characterization of trans-M(2)(T(i)PB)(2)(O(2)C-CH[double bond, length as m-dash]CH-2-C(4)H(3)S)(2) (M = Mo or W) and comments on the metal-to-ligand charge transfer bands in MM quadruply bonded complexes of the type trans-M(2)(T(i)PB)(2)L(2), where T(i)PB = 2,4,6-triisopropylbenzoate and L = π-accepting carboxylate ligand. |
| Authors of publication | Alberding, Brian G.; Chisholm, Malcolm H.; Lear, Benjamin J.; Naseri, Vesal; Reed, Carly R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 40 |
| Pages of publication | 10658 - 10663 |
| a | 13.9371 ± 0.0001 Å |
| b | 15.6806 ± 0.0001 Å |
| c | 16.265 ± 0.0001 Å |
| α | 72.1801 ± 0.0003° |
| β | 83.7171 ± 0.0003° |
| γ | 70.2194 ± 0.0003° |
| Cell volume | 3184.31 ± 0.04 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179872 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68. |
7016806.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016806.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016806.cif |
| 28078 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016806 via cif-deposit CGI script. |
7016806.cif |
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Users of the data should acknowledge the original authors of the
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