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Information card for entry 4308532
Preview
| Coordinates | 4308532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H67 B Fe Hf N14 O6 |
|---|---|
| Calculated formula | C72 H67 B Fe Hf N14 O6 |
| SMILES | [Hf]12345(ON6[Fe]789%10[N](O[B](O[N]7=C7C(=[N]8O1)CCCC7)(O[N]9=C1C(=[N]%10O2)CCCC1)CCCC)=C1C=6CCCC1)[n]1c2N=c6n5c(=Nc5[n]4c(=Nc4n3c(N=c1c1c2cccc1)c1ccccc41)c1ccccc51)c1ccccc61.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Ditopic Macropolycyclic Complexes: Synthesis of Hybrid Phthalocyaninoclathrochelates |
| Authors of publication | Yan Z. Voloshin; Oleg A. Varzatskii; Sergey V. Korobko; Viktor Y. Chernii; Sergey V. Volkov; Larisa A. Tomachynski; Vasilii I. Pehn'o; Mikhail Yu. Antipin; Zoya A. Starikova |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 822 - 824 |
| a | 20.568 ± 0.007 Å |
| b | 12.213 ± 0.003 Å |
| c | 26.971 ± 0.008 Å |
| α | 90° |
| β | 108.02 ± 0.02° |
| γ | 90° |
| Cell volume | 6443 ± 3 Å3 |
| Cell temperature | 383 ± 2 K |
| Ambient diffraction temperature | 383 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.726 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179123 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85. |
4308532.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308532.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308532.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308532.cif |
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