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Information card for entry 4308892
Preview
| Coordinates | 4308892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H44 Cl4 N6 Ru |
|---|---|
| Calculated formula | C70 H44 Cl4 N6 Ru |
| SMILES | [Ru]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(Cl)cc1)cc2)c1ccc(Cl)cc1)cc3)c1ccc(Cl)cc1)cc6)c1ccc(Cl)cc1)(N=C(c1ccccc1)c1ccccc1)N=C(c1ccccc1)c1ccccc1 |
| Title of publication | Tuning the Reactivity of Dioxoruthenium(VI) Porphyrins toward an Arylimine by Altering Porphyrin Substituents |
| Authors of publication | Jie-Sheng Huang; Sarana Ka-Yan Leung; Zhong-Yuan Zhou; Nianyong Zhu; Chi-Ming Che |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3780 - 3788 |
| a | 12.145 ± 0.002 Å |
| b | 20.47 ± 0.004 Å |
| c | 23.446 ± 0.005 Å |
| α | 90° |
| β | 102.48 ± 0.03° |
| γ | 90° |
| Cell volume | 5691 ± 2 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179126 (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 4/30/88. |
4308892.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308892.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308892.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). |
4308892.cif |
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Users of the data should acknowledge the original authors of the
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