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Information card for entry 4309001
Preview
| Coordinates | 4309001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tungsten sulfide cluster with 4-aminopyridine ligands |
|---|---|
| Chemical name | octakis(mu!3$-sulfido)-hexakis(4-aminopyridine) -hexa-tungsten tetrakis(dimethylformamide) solvate ? |
| Formula | C38 H52 N16 O4 S8 W6 |
| Calculated formula | C38 H52 N16 O4 S8 W6 |
| SMILES | c1cc(cc[n]1[W]1234567[S]8[W]9%10%11%12%136([S]1[W]16%14%1549([n]4ccc(cc4)N)[S]2[W]249%165%15([S]3[W]3578%13%16([n]7ccc(N)cc7)[S]4[W]%12%1495([n]4ccc(cc4)N)([S]12)([S]%103)[S]%116)[n]1ccc(cc1)N)[n]1ccc(cc1)N)N.C(=O)NC.C(=O)NC.C(=O)NC.C(=O)NC |
| Title of publication | Synthesis and Characterization of Hydrogen-Bonded Assemblies of W6S8L6 Clusters |
| Authors of publication | Catherine M. Oertel; Ryan D. Sweeder; Sonal Patel; Craig M. Downie; Francis J. DiSalvo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 2287 - 2296 |
| a | 13.8988 ± 0.0005 Å |
| b | 13.2791 ± 0.0005 Å |
| c | 15.6293 ± 0.0006 Å |
| α | 90° |
| β | 108.541 ± 0.001° |
| γ | 90° |
| Cell volume | 2734.88 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179128 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/90. |
4309001.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309001.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309001.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309001.cif |
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