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CIF Information Card
Information card for 2002980
2002979 << 2002980 >> 2002981Preview
|
Coordinates |
2002980.cif |
Structure parameters
| Chemical name | 1,1,1-Tris(4-hydroxyphenyl)ethane--1,10-phenanthroline--methanol (1/1/1) |
| Formula | - C33 H30 N2 O4 - |
| Calculated formula | - C33 H30 N2 O4 - |
| Title of publication | Crystal Engineering using Bis-phenols and Tris-phenols. Complexes with 1,10-Phenanthroline: Hydrogen-bonded Chains in 4 ,4'-Biphenol-1,10-Phenanthroline (1/1) and 4,4'-Sulfonyldiphenol-1,10-Phenanthroline (2/3), π-π Stacked Chains in 4,4'-Thiodiphenol-1,10-Phenanthroline (1/2), and Pairwise-Interwoven Nets in 1,1,1-Tris(4-hydroxyphenyl)ethane-1,10-Phenanthroline-Methanol (1/1/1). |
| Authors of publication | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 1999 |
| Journal volume | 55 |
| Pages of publication | 591 - 600 |
| a | 22.811 ± 0.003 Å |
| b | 22.029 ± 0.003 Å |
| c | 10.7965 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5425.3 ± 1.2 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1305 |
| Residual factor for observed reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for observed reflections | 0.874 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |