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CIF Information Card
Information card for 2200014
2200013 << 2200014 >> 2200015Preview
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Coordinates |
2200014.cif |
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Structure factors |
2200014.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | mer-Tris(isothiocyanato)tris(ethyldiphenylphosphine oxide)iron(III) |
| Formula | - C45 H45 Fe N3 O3 P3 S3 - |
| Calculated formula | - C45 H45 Fe N3 O3 P3 S3 - |
| Title of publication | <i>mer</i>-Tris(isothiocyanato)tris(ethyldiphenylphosphine oxide)iron(III) |
| Authors of publication | Olejnik, Zofia; Lis, Tadeusz; Ondrejkovičová, Iveta; Malo, Jozef; Galková, Sylvia |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | m2314 - m2316 |
| a | 14.565 ± 0.003 Å |
| b | 16.839 ± 0.003 Å |
| c | 20.092 ± 0.004 Å |
| α | 90° |
| β | 110.47 ± 0.03° |
| γ | 90° |
| Cell volume | 4616.6 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0884 |
| Residual factor for observed reflections | 0.047 |
| Weighted residual factors for the observed reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for observed reflections | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |