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Information card for entry 4311211
Preview
| Coordinates | 4311211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H51 Br2 N2 O2 Sn |
|---|---|
| Calculated formula | C42.9985 H51 Br2 N2 O2 Sn |
| Title of publication | (Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide |
| Authors of publication | Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4315 - 4327 |
| a | 12.444 ± 0.002 Å |
| b | 26.662 ± 0.004 Å |
| c | 12.924 ± 0.002 Å |
| α | 90° |
| β | 94.354 ± 0.003° |
| γ | 90° |
| Cell volume | 4275.6 ± 1.1 Å3 |
| Cell temperature | 153.2 K |
| Ambient diffraction temperature | 153.2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1343 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections | 1.258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311211.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4311211.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311211.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311211.cif |
| 2706 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311211 via cif-deposit CGI script. |
4311211.cif |
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Users of the data should acknowledge the original authors of the
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