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Information card for entry 4310249
Preview
| Coordinates | 4310249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H90 Mo6 N4 O17 |
|---|---|
| Calculated formula | C48 H90 Mo6 N4 O17 |
| SMILES | c1(c(cccc1C)C)N=[Mo]1234[O]5678[Mo]9%10%11(=Nc%12c(cccc%12C)C)O[Mo]%127(=O)(O4)O[Mo]5(O[Mo]8(O1)(=O)(O%10)O[Mo]6(O2)(=O)(O%12)O%11)(O3)(=O)O9.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC |
| Title of publication | A Kinetically Controlled Trans Bifunctionalized Organoimido Derivative of the Lindqvist-Type Hexamolybdate: Synthesis, Spectroscopic Characterization, and Crystal Structure of (n-Bu4N)2{trans-[Mo6O17(NAr)2]} (Ar = 2,6-dimethylphenyl) |
| Authors of publication | Yun Xia; Yongge Wei; Yuan Wang; Hongyou Guo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9823 - 9828 |
| a | 11.0358 ± 0.0017 Å |
| b | 16.569 ± 0.003 Å |
| c | 17.507 ± 0.003 Å |
| α | 90° |
| β | 105.377 ± 0.002° |
| γ | 90° |
| Cell volume | 3086.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179141 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02. |
4310249.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310249.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310249.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). |
4310249.cif |
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