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Information card for entry 2228395
Preview
| Coordinates | 2228395.cif |
|---|---|
| Structure factors | 2228395.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-5-carboxybenzene-1,3-dicarboxylato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^: <i>O</i>^3^;κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl- 1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)] |
|---|---|
| Formula | C56 H32 N8 O12 Pb2 |
| Calculated formula | C56 H32 N8 O12 Pb2 |
| SMILES | c1[n]2[Pb]3([n]4c5c2c(cc1)c1c(c5ccc4)nc([nH]1)c1ccccc1)OC(=O)c1cc(cc(C(=O)O[Pb]2([n]4cccc5c6c(c7ccc[n]2c7c45)nc([nH]6)c2ccccc2)OC(=O)c2cc(cc(C(=O)O3)c2)C(=O)O)c1)C(=O)O |
| Title of publication | Bis(μ-5-carboxybenzene-1,3-dicarboxylato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)] |
| Authors of publication | Chen, Jing; Wang, Xiang-Cheng; Li, Chun-Xiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1651 - m1652 |
| a | 9.2776 ± 0.0003 Å |
| b | 11.4409 ± 0.0005 Å |
| c | 12.2764 ± 0.0006 Å |
| α | 73.82 ± 0.004° |
| β | 72.754 ± 0.004° |
| γ | 68.68 ± 0.004° |
| Cell volume | 1137.73 ± 0.09 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 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 | 0.0282 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (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 2/22/83. |
2228395.cif 2228395.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. |
2228395.cif 2228395.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228395.cif 2228395.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. | 2228395.cif 2228395.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228395.cif 2228395.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228395.cif 2228395.hkl |
| 5783 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228392, 2228393, 2228394, 2228395, 2228396, 2228397, 2228398, 2228399, 2228400, 2228401 via cif-deposit CGI script. |
2228395.cif |
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