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Information card for entry 1520764
Preview
| Coordinates | 1520764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 K3.5 Mo6 N4 Na0.5 O45.5 P4 |
|---|---|
| Calculated formula | C20 H30 K2 Mo6 N4 Na0.375 O45 P4 |
| SMILES | [Mo]1(=O)(=O)O[Mo]23(OP4(=O)O[Mo](O3)(=O)(=O)(O[Mo]35(=O)(=O)O[Mo]6(=O)(=O)O[Mo]7(OP(=O)(O5)C(P(=O)(O3)O6)(O7)CCC[NH2+]Cc3cc[nH+]cc3)(=O)=O)OP(=O)(O2)C4(O1)CCC[NH2+]Cc1cc[nH+]cc1)(=O)=O.[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties |
| Authors of publication | Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne |
| Journal of publication | Inorganics |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 279 |
| a | 17.9501 ± 0.0005 Å |
| b | 19.4745 ± 0.0004 Å |
| c | 19.8487 ± 0.0005 Å |
| α | 76.188 ± 0.001° |
| β | 69.59 ± 0.001° |
| γ | 76.669 ± 0.001° |
| Cell volume | 6231.6 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1649 |
| Weighted residual factors for all reflections included in the refinement | 0.179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1520764.cif |
| 140297 | 2015-07-05 | cif/ Adding structures of 1520763, 1520764, 1520765 via cif-deposit CGI script. |
1520764.cif |
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Users of the data should acknowledge the original authors of the
structural data.