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Information card for entry 4111174
Preview
| Coordinates | 4111174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [LZn2Y(OAc)2(NO3)(MeOH)](MeOH) |
|---|---|
| Formula | C34 H40 N5 O19 Y Zn2 |
| Calculated formula | C34 H40 N5 O19 Y Zn2 |
| SMILES | [Y]1234567[O]8[Zn]9%10([O]1c1c(cccc1[O]2C)C=[N]1OCCO[N]9=Cc2c(c9c(cc2)C=[N]2[Zn]1([O]59)([N](OCCO2)=Cc1c8c(ccc1)[O]7C)([O]=C(O3)C)ON(=O)=O)[O]4%10)[O]=C(O6)C.OC.OC |
| Title of publication | Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes |
| Authors of publication | Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 15765 - 15774 |
| a | 12.38 ± 0.005 Å |
| b | 12.893 ± 0.006 Å |
| c | 13.2 ± 0.007 Å |
| α | 88.92 ± 0.014° |
| β | 85.99 ± 0.016° |
| γ | 67.455 ± 0.01° |
| Cell volume | 1941.1 ± 1.6 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111174.cif |
| 178882 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11. |
4111174.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111174.cif |
| 60699 | 2012-06-18 | cif/ Adding structures of 4111174 via cif-deposit CGI script. |
4111174.cif |
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