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CIF Information Card
Information card for 2015244
2015243 << 2015244 >> 2015245Preview
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Coordinates |
2015244.cif |
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Structure factors |
2015244.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | Tetrakis(4-methoxycarbonylphenyl)porphyrin |
| Chemical name | Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate |
| Formula | - C63.42 H47.52 N5.9 O11.81 - |
| Calculated formula | - C63.424 H47.52 N5.904 O11.808 - |
| Title of publication | Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H...O attractions |
| Authors of publication | Sankar Muniappan; Sophia Liptsman; Israel Goldberg |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | m140 - m143 |
| a | 32.6249 ± 0.0008 Å |
| b | 7.0657 ± 0.0002 Å |
| c | 23.516 ± 0.0008 Å |
| α | 90° |
| β | 100.292 ± 0.0009° |
| γ | 90° |
| Cell volume | 5333.6 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1084 |
| Residual factor for observed reflections | 0.0569 |
| Weighted residual factors for the observed reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for observed reflections | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |