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Information card for entry 1508161
Preview
| Coordinates | 1508161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | citrate tungsten complex |
|---|---|
| Formula | C66 H108 N22 O67 W6 |
| Calculated formula | C66 H74 N22 O67 W6 |
| SMILES | [W]12(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(=O)(=O)O[W]12(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(=O)=O.[W]12(OC(C(=O)O2)(CC(=O)O1)CC(=O)[O-])(=O)(=O)O[W]12(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(=O)=O.[W]12(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(=O)(=O)O[W]12(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(=O)=O.O.O.O.O.O.O.O.O.O.[nH]1cc[nH+]c1.[nH]1c[nH+]cc1.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[NH4+].[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1.[NH4+] |
| Title of publication | Hydrogen bonding-controlled assemblies of polymeric and octanuclear tungsten citrates |
| Authors of publication | Zhanga, Rong-Hua; Zhoua, Xin-Wen; Xiaoa, Shu-Zhang; Zhou, Zhao-Hui |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2012 |
| Journal volume | 391 |
| Pages of publication | 224 - 228 |
| a | 30.1474 ± 0.0007 Å |
| b | 17.703 ± 0.0005 Å |
| c | 19.9701 ± 0.0003 Å |
| α | 90° |
| β | 92.278 ± 0.002° |
| γ | 90° |
| Cell volume | 10649.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508161.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508161.cif |
| 62707 | 2012-07-09 | cif/ Adding structures of 1508161 via cif-deposit CGI script. |
1508161.cif |
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