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Information card for entry 4306931
Preview
| Coordinates | 4306931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H38 As2 Mo6 N6 O30 |
|---|---|
| Calculated formula | C30 H38 As2 Mo6 N6 O30 |
| SMILES | c1[nH+]ccc(c1)c1cc[nH+]cc1.c1cc(cc[nH+]1)c1cc[nH+]cc1.O=[Mo]123([O]4[Mo]5(=O)(=O)(O[Mo]67([O]5[As]5(=O)[O]3[Mo]3(=O)(=O)(O[Mo]89(=O)(=O)[O]5[Mo](=O)(=O)([O]6[As]4(=O)[O]39)(O8)O7)O2)(=O)=O)O1)=O.O.c1c[nH+]ccc1c1cc[nH+]cc1.O.O.O |
| Title of publication | A Series of New Organic-Inorganic Molybdenum Arsenate Complexes Based on [(ZnO6)(As3O3)2Mo6O18]4- and [HxAs2Mo6O26](6-x)- Clusters as SBUs |
| Authors of publication | Chunyan Sun; Yangguang Li; Enbo Wang; Dongrong Xiao; Haiyan An; Lin Xu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1563 - 1574 |
| a | 14.691 ± 0.003 Å |
| b | 18.645 ± 0.004 Å |
| c | 10.623 ± 0.002 Å |
| α | 90° |
| β | 127.52 ± 0.03° |
| γ | 90° |
| Cell volume | 2307.9 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4306931.cif |
| 179107 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69. |
4306931.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306931.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306931.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
4306931.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
4306931.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4306931.cif |
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Users of the data should acknowledge the original authors of the
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