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Information card for entry 4321943
Preview
| Coordinates | 4321943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 K6 N12 O5 Te4 W4 |
|---|---|
| Calculated formula | C12 K6 N12 O5 Te4 W4 |
| SMILES | [W]12345([W]6789([W]%10%111([W]26([Te]37)([Te]4%10)([Te]9%11)(C#N)(C#N)C#N)([Te]58)(C#N)(C#N)C#N)(C#N)(C#N)C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O |
| Title of publication | Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores |
| Authors of publication | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 1956 - 1965 |
| a | 12.399 ± 0.001 Å |
| b | 13.187 ± 0.001 Å |
| c | 13.496 ± 0.001 Å |
| α | 83.712 ± 0.008° |
| β | 66.575 ± 0.008° |
| γ | 63.223 ± 0.009° |
| Cell volume | 1801.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.2151 |
| Weighted residual factors for all reflections included in the refinement | 0.2213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179322 (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 4/32/19. |
4321943.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321943.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321943.cif |
| 19807 | 2011-05-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4321943 via cif-deposit CGI script. |
4321943.cif |
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