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Information card for entry 2017865
Preview
| Coordinates | 2017865.cif |
|---|---|
| Structure factors | 2017865.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>- imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)] |
|---|---|
| Formula | C52 H30 N10 O8 Pb2 |
| Calculated formula | C52 H30 N10 O8 Pb2 |
| SMILES | c1cnc2c3c(c4c(c2c1)nc(c1ccncc1)[nH]4)cccn3.C(=O)(c1ccc(cc1)C(=O)[O-])[O-].[Pb+2] |
| Title of publication | Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net |
| Authors of publication | Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m245 - m248 |
| a | 10.9066 ± 0.0007 Å |
| b | 15.0537 ± 0.001 Å |
| c | 15.0663 ± 0.001 Å |
| α | 75.89 ± 0.001° |
| β | 74.199 ± 0.001° |
| γ | 81.399 ± 0.001° |
| Cell volume | 2299.2 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017865.cif 2017865.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017865.cif 2017865.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017865.cif 2017865.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. | 2017865.cif 2017865.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017865.cif 2017865.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017865.cif 2017865.hkl |
| 4173 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017865 via cif-deposit CGI script. |
2017865.cif |
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