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Information card for entry 2225820
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| Coordinates | 2225820.cif |
|---|---|
| Structure factors | 2225820.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI) |
|---|---|
| Formula | C26 H56 Mo8 N4 O26 |
| Calculated formula | C26 H56 Mo8 N4 O26 |
| SMILES | C1(CC[NH2+]CC1)CCCC1CC[NH2+]CC1.[O]12[Mo]345([O]67[Mo]81(=O)(O[Mo]1(=O)(O[Mo]9%106([O]8[Mo]62(O[Mo](O3)(O[Mo]2([O]%10[Mo]7([O]42)(O1)(=O)=O)([O]596)(=O)=O)(=O)=O)(=O)=O)=O)=O)=O)=O.C1(CC[NH2+]CC1)CCCC1CC[NH2+]CC1 |
| Title of publication | Bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI) |
| Authors of publication | Driss, Mohamed; Ksiksi, Rekaya; Ben Amor, Fatma; Zid, Mohamed Faouzi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | m533 - m534 |
| a | 23.975 ± 0.005 Å |
| b | 13.935 ± 0.004 Å |
| c | 13.647 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4559 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181179 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/58. |
2225820.cif 2225820.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225820.cif 2225820.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225820.cif 2225820.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. | 2225820.cif 2225820.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225820.cif 2225820.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225820.cif 2225820.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225820.cif |
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Users of the data should acknowledge the original authors of the
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