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Information card for entry 4512162
Preview
| Coordinates | 4512162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H40 N4 O12 P4 |
|---|---|
| Calculated formula | C45 H40 N4 O12 P4 |
| SMILES | c1(ccccn1)c1ncccc1.OP(=O)(O)c1ccc(C(c2ccc(cc2)P(=O)(O)O)(c2ccc(cc2)P(=O)(O)O)c2ccc(cc2)P(=O)(O)O)cc1.c1(c2ncccc2)ncccc1 |
| Title of publication | Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases |
| Authors of publication | Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 6143 |
| a | 16.8962 ± 0.0008 Å |
| b | 16.8962 ± 0.0008 Å |
| c | 7.2119 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2058.9 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.1296 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179668 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21. |
4512162.cif |
| 126850 | 2014-11-11 | cif/ Updating files of 4512161, 4512162, 4512163, 4512164, 4512165, 4512166 Original log message: Adding full bibliography for 4512161--4512166.cif. |
4512162.cif |
| 125667 | 2014-10-22 | cif/ Adding structures of 4512161, 4512162, 4512163, 4512164, 4512165, 4512166 via cif-deposit CGI script. |
4512162.cif |
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Users of the data should acknowledge the original authors of the
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