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Information card for entry 2018759
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| Coordinates | 2018759.cif |
|---|---|
| Structure factors | 2018759.hkl |
| Original IUCr paper | HTML |
| Common name | Tripotassium formatotetraperoxidodimolybdate |
|---|---|
| Chemical name | Tripotassium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] |
| Formula | C H K3 Mo2 O13 |
| Calculated formula | C H K3 Mo2 O13 |
| SMILES | [Mo]123(=O)(OO1)(OO2)O[Mo]12(=O)(OO1)(OO2)[O]=CO3.[K+].[K+].[K+] |
| Title of publication | Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] |
| Authors of publication | Takehara, Masaki; Hashimoto, Masato |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | 37 - 40 |
| a | 11.147 ± 0.006 Å |
| b | 5.985 ± 0.003 Å |
| c | 16.32 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1088.8 ± 1 Å3 |
| Cell temperature | 93 ± 1 K |
| Ambient diffraction temperature | 93 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.0159 |
| Weighted residual factors for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87. |
2018759.cif 2018759.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018759.cif 2018759.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018759.cif 2018759.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018759.cif 2018759.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2018759.cif 2018759.hkl |
| 73448 | 2013-02-20 | cif/ Adding structures of 2018759, 2018760, 2018761 via cif-deposit CGI script. |
2018759.cif |
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Users of the data should acknowledge the original authors of the
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