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Information card for entry 2017638
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| Coordinates | 2017638.cif |
|---|---|
| Structure factors | 2017638.hkl |
| Original IUCr paper | HTML |
| Common name | Cobalt(sepulchrate)trinitrate |
|---|---|
| Chemical name | [(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane) cobalt(III) trinitrate |
| Formula | C12 H30 Co N11 O9 |
| Calculated formula | C12 H30 Co N11.0002 O9.0006 |
| Title of publication | Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate |
| Authors of publication | Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m107 - m109 |
| a | 8.4945 ± 0.0005 Å |
| b | 8.4945 ± 0.0005 Å |
| c | 15.9195 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 994.8 ± 0.12 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 182 |
| Hermann-Mauguin space group symbol | P 63 2 2 |
| Hall space group symbol | P 6c 2c |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.25 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180845 (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 2/01/76. |
2017638.cif 2017638.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. |
2017638.cif 2017638.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017638.cif 2017638.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. | 2017638.cif 2017638.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017638.cif 2017638.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2017638.cif 2017638.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2017638.cif |
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