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Information card for entry 2226739
Preview
| Coordinates | 2226739.cif |
|---|---|
| Structure factors | 2226739.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato- κ^2^<i>O</i>,<i>O</i>')lead(II) |
|---|---|
| Formula | C28 H24 N6 O6 Pb |
| Calculated formula | C28 H24 N6 O6 Pb |
| SMILES | [Pb]1234(ON(=[O]1)=O)(ON(=O)=O2)([n]1c2c5[n]3c(ccc5ccc2ccc1C)C)[n]1c2c3[n]4c(ccc3ccc2ccc1C)C |
| Title of publication | Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II) |
| Authors of publication | Shen, Fwu Ming; Lush, Shie Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m805 - m806 |
| a | 19.9164 ± 0.0004 Å |
| b | 8.0173 ± 0.0001 Å |
| c | 16.3575 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2611.9 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.0399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181188 (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 2/22/67. |
2226739.cif 2226739.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. |
2226739.cif 2226739.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226739.cif 2226739.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. | 2226739.cif 2226739.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226739.cif 2226739.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226739.cif 2226739.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226739.cif |
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Users of the data should acknowledge the original authors of the
structural data.