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Information card for entry 4334390
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| Coordinates | 4334390.cif |
|---|---|
| Structure factors | 4334390.hkl |
| Original paper (by DOI) | HTML |
| Formula | C156 H242 F18 Fe6 N26 O32 S6 |
|---|---|
| Calculated formula | C155.999 H233.999 F18 Fe6 N25.9998 O32.0002 S6 |
| Title of publication | Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications |
| Authors of publication | Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 3920 - 3932 |
| a | 22.5337 ± 0.0007 Å |
| b | 22.5337 ± 0.0007 Å |
| c | 30.53 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13425.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4334390.cif 4334390.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4334390.cif 4334390.hkl |
| 179446 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43. |
4334390.cif 4334390.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4334390.cif 4334390.hkl |
| 100208 | 2014-02-04 | cif/ Adding structures of 4334390 via cif-deposit CGI script. |
4334390.cif |
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Users of the data should acknowledge the original authors of the
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