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Information card for entry 2232822
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| Coordinates | 2232822.cif |
|---|---|
| Structure factors | 2232822.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)- 7,8-diphenylglycoluril]dizinc] monohydrate] |
|---|---|
| Formula | C24 H28 N4 O15 Zn2 |
| Calculated formula | C24 H28 N4 O15 Zn2 |
| Title of publication | Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)-7,8-diphenylglycoluril]dizinc] monohydrate] |
| Authors of publication | Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong; Wang, Xiuguang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1818 - m1819 |
| a | 18.091 ± 0.004 Å |
| b | 15.245 ± 0.003 Å |
| c | 19.007 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5242.1 ± 1.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/28. |
2232822.cif 2232822.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232822.cif 2232822.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232822.cif 2232822.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. | 2232822.cif 2232822.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232822.cif 2232822.hkl |
| 31701 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232822 via cif-deposit CGI script. |
2232822.cif |
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Users of the data should acknowledge the original authors of the
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