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Information card for entry 4511603
Preview
| Coordinates | 4511603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H57 In N2 O14 |
|---|---|
| Calculated formula | C61 H57 In N2 O14 |
| Title of publication | Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline |
| Authors of publication | Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4041 |
| a | 13.3766 ± 0.0013 Å |
| b | 14.8033 ± 0.0016 Å |
| c | 16.1009 ± 0.0017 Å |
| α | 93.531 ± 0.004° |
| β | 103.123 ± 0.004° |
| γ | 114.206 ± 0.004° |
| Cell volume | 2788.7 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections | 0.1418 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4511603.cif |
| 122835 | 2014-09-06 | cif/ Updating files of 4511601, 4511602, 4511603, 4511604, 4511605, 4511606, 4511607 Original log message: Adding full bibliography for 4511601--4511607.cif. |
4511603.cif |
| 119912 | 2014-07-10 | cif/ Adding structures of 4511603 via cif-deposit CGI script. |
4511603.cif |
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Users of the data should acknowledge the original authors of the
structural data.