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Information card for entry 4327454
Preview
| Coordinates | 4327454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H57 Mo6 N Na2 O34 |
|---|---|
| Calculated formula | C42 Mo6 N Na2 O34 |
| SMILES | C1C[O]2c3ccccc3[O]3CC[O]4CC[O]5c6ccccc6[O]6CC[O]1[Na]23456[OH2].C(#N)C.O.O=[Mo]1234O[Mo]567(=O)[O]89%101[Mo]1%11(=O)(O[Mo]9(=O)(O3)(O7)O[Mo]%10(=O)(O%11)(O4)O[Mo]8(=O)(O2)(O1)O6)O5.C1C[O]2c3ccccc3[O]3CC[O]4CC[O]5c6ccccc6[O]6CC[O]1[Na]23456[OH2].CC#N |
| Title of publication | New High-Dimensional Networks Based on Polyoxometalate and Crown Ether Building Blocks |
| Authors of publication | Yangguang Li; Na Hao; Enbo Wang; Mei Yuan; Changwen Hu; Ninghai Hu; Hengqing Jia |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2729 - 2735 |
| a | 16.9701 ± 0.0006 Å |
| b | 16.9701 ± 0.0006 Å |
| c | 14.2676 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4108.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 127 |
| Hermann-Mauguin space group symbol | P 4/m b m |
| Hall space group symbol | -P 4 2ab |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1997 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179377 (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 4/32/74. |
4327454.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327454.cif |
| 61279 | 2012-06-26 | cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited) |
4327454.cif |
| 61225 | 2012-06-25 | cif/ Adding structures of 4327454 via cif-deposit CGI script. |
4327454.cif |
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