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Information card for entry 8101702
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| Coordinates | 8101702.cif |
|---|
| Chemical name | (1,10-phenanthroline-N,N')bis(2-fluorobenzoato)lead(II) |
|---|---|
| Formula | C26 H16 F2 N2 O4 Pb |
| Calculated formula | C26 H16 F2 N2 O4 Pb |
| SMILES | [Pb]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1c(F)cccc1)OC(=O)c1ccccc1F |
| Title of publication | Crystal structure of (1,10-phenanthroline-N,N')bis(2-fluorobenzoato) lead(II), Pb(FC~6~H~4~COO)~2~(C~12~H~8~N~2~) |
| Authors of publication | B.-S. Zhang; X.-R. Zeng; Y.-Y. Yu; X.-N. Fang; C.-F. Huang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 75 - 76 |
| a | 9.4313 ± 0.0019 Å |
| b | 10.95 ± 0.002 Å |
| c | 11.609 ± 0.002 Å |
| α | 80.9 ± 0.03° |
| β | 84.41 ± 0.03° |
| γ | 73.36 ± 0.03° |
| Cell volume | 1132.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101702.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101702.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101702.cif |
| 12441 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101702 via cif-deposit CGI script. |
8101702.cif |
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Users of the data should acknowledge the original authors of the
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