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Information card for entry 2228240
Preview
| Coordinates | 2228240.cif |
|---|---|
| Structure factors | 2228240.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate |
|---|---|
| Formula | C33 H24 N2 O6 Pb |
| Calculated formula | C33 H24 N2 O6 Pb |
| SMILES | [Pb]123(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)[n]1cccc2ccc4ccc[n]3c4c12.OC(=O)c1ccccc1 |
| Title of publication | Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate |
| Authors of publication | Dai, Jun; Yang, Juan; Li, Jiantong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1661 - m1662 |
| a | 10.0725 ± 0.0008 Å |
| b | 10.5697 ± 0.0008 Å |
| c | 15.5477 ± 0.0017 Å |
| α | 93.414 ± 0.002° |
| β | 102.836 ± 0.002° |
| γ | 117.972 ± 0.001° |
| Cell volume | 1399.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (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 2/22/82. |
2228240.cif 2228240.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2228240.cif 2228240.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228240.cif 2228240.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. | 2228240.cif 2228240.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228240.cif 2228240.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228240.cif 2228240.hkl |
| 5766 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228232, 2228233, 2228234, 2228235, 2228236, 2228237, 2228238, 2228239, 2228240, 2228241 via cif-deposit CGI script. |
2228240.cif |
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