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Information card for entry 8102110
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| Coordinates | 8102110.cif |
|---|
| Chemical name | methanol-(1,10-phenanthroline-N,N')-trichloro-iron(III) methanol solvate |
|---|---|
| Formula | C14 H16 Cl3 Fe N2 O2 |
| Calculated formula | C14 H16 Cl3 Fe N2 O2 |
| SMILES | [Fe]1([n]2cccc3ccc4ccc[n]1c4c23)(Cl)(Cl)(Cl)[OH]C.OC |
| Title of publication | Refinement of the crystal structure of methanol-(1,10-phenanthroline- N,N')-trichloro-iron(III) methanol solvate, FeCl~3~(CH~3~OH)(C~12~H~8~N~2~) · CH~3~OH |
| Authors of publication | Khavasi, H. R.; Amani, V.; Safari, N. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 155 - 156 |
| a | 8 ± 0.006 Å |
| b | 14.835 ± 0.0013 Å |
| c | 14.8351 ± 0.0015 Å |
| α | 90° |
| β | 101.017 ± 0.006° |
| γ | 90° |
| Cell volume | 1728.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| 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. |
8102110.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102110.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102110.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102110.cif |
| 12849 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102110 via cif-deposit CGI script. |
8102110.cif |
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