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Information card for entry 2233201
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| Coordinates | 2233201.cif |
|---|---|
| Structure factors | 2233201.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]] |
|---|---|
| Formula | C16 H12 F I3 N2 Pb |
| Calculated formula | C16 H12 F I3 N2 Pb |
| SMILES | [Pb]12(I)(I)(I)[I][Pb]([I]1)[I]2.c1(F)c(/C=N/[n+]2cccc3ccccc23)cccc1.c1(F)c(/C=N/[n+]2cccc3ccccc23)cccc1 |
| Title of publication | <i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]] |
| Authors of publication | Zhao, Hai-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m19 |
| a | 20.888 ± 0.004 Å |
| b | 7.9112 ± 0.0015 Å |
| c | 25.197 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4163.8 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1488 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233201.cif 2233201.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. |
2233201.cif 2233201.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233201.cif 2233201.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. | 2233201.cif 2233201.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233201.cif 2233201.hkl |
| 32260 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233201 via cif-deposit CGI script. |
2233201.cif |
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Users of the data should acknowledge the original authors of the
structural data.