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Information card for entry 2104709
Preview
| Coordinates | 2104709.cif |
|---|---|
| Structure factors | 2104709.hkl |
| Original IUCr paper | HTML |
| Formula | C30 H77.44 Cr2 N6 O45.32 |
|---|---|
| Calculated formula | C30 H77.472 Cr2 N6 O45.316 |
| Title of publication | More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^ |
| Authors of publication | Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 2 |
| Pages of publication | 213 - 221 |
| a | 18.0939 ± 0.0002 Å |
| b | 9.4487 ± 0.0001 Å |
| c | 19.0682 ± 0.0003 Å |
| α | 90° |
| β | 116.086 ± 0.0006° |
| γ | 90° |
| Cell volume | 2927.9 ± 0.07 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180906 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/47. |
2104709.cif 2104709.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2104709.cif 2104709.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104709.cif 2104709.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. | 2104709.cif 2104709.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104709.cif 2104709.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2104709.cif 2104709.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2104709.cif |
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