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Information card for entry 4324229
Preview
| Coordinates | 4324229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 As4 Mo4 N8 O36 |
|---|---|
| Calculated formula | C24 H20 As4 Mo4 N8 O36 |
| SMILES | c1(ccc(c(c1)N(=O)=O)O)[As]12[O]3[Mo]45(O[Mo]63(=O)(=O)O[As](O[Mo]3(O[Mo]([O]3[As](c3ccc(c(c3)N(=O)=O)O)(=[O]6)O5)(O[As](=[O]4)(c3cc(N(=O)=O)c(cc3)O)=O)([O]=1)(=O)=O)(=O)(=O)O2)(c1cc(N(=O)=O)c(cc1)O)=O)(=O)=O.[NH4+].[NH4+].O.[NH4+].[NH4+].O |
| Title of publication | Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution |
| Authors of publication | Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 604 - 613 |
| a | 10.7255 ± 0.0019 Å |
| b | 10.937 ± 0.003 Å |
| c | 12 ± 0.003 Å |
| α | 89.474 ± 0.013° |
| β | 66.129 ± 0.01° |
| γ | 63.926 ± 0.007° |
| Cell volume | 1131.6 ± 0.5 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179345 (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 4/32/42. |
4324229.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324229.cif |
| 40934 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324229 via cif-deposit CGI script. |
4324229.cif |
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