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Information card for entry 2232144
Preview
| Coordinates | 2232144.cif |
|---|---|
| Structure factors | 2232144.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate] |
|---|---|
| Formula | C48 H34 N8 O12 Zn2 |
| Calculated formula | C48 H26 N8 O12 Zn2 |
| Title of publication | Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate] |
| Authors of publication | Wang, Chun-Jie; Wang, Qian-Qian; Xu, Xiang-Jun; Liu, Chun-Bo; Che, Guang-Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1493 - m1494 |
| a | 9.7477 ± 0.0016 Å |
| b | 10.261 ± 0.0018 Å |
| c | 11.048 ± 0.0019 Å |
| α | 88.849 ± 0.003° |
| β | 72.115 ± 0.004° |
| γ | 83.121 ± 0.003° |
| Cell volume | 1043.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232144.cif 2232144.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. |
2232144.cif 2232144.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232144.cif 2232144.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. | 2232144.cif 2232144.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232144.cif 2232144.hkl |
| 30786 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232144 via cif-deposit CGI script. |
2232144.cif |
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