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Information card for entry 2242171
Preview
| Coordinates | 2242171.cif |
|---|---|
| Structure factors | 2242171.hkl |
| Original IUCr paper | HTML |
| Chemical name | ({(1<i>R</i>,2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
|---|---|
| Formula | C27 H29 Cl7 Fe2 N4 O |
| Calculated formula | C27 H29 Cl7 Fe2 N4 O |
| Title of publication | Crystal structure of ({(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
| Authors of publication | Swift, Hannah; Carrig, Molly W.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 936 - 940 |
| a | 10.3489 ± 0.0006 Å |
| b | 14.3664 ± 0.0008 Å |
| c | 21.4619 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3190.9 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 119.99 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199141 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242171 via cif-deposit CGI script. |
2242171.cif 2242171.hkl |
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Users of the data should acknowledge the original authors of the
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